data_5oqk_residue ############################ # Computer software used # ############################ 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 5oqk _Structure_validation_residue.Date_analyzed 2019-03-29 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 ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.886 0.374 . . . . 70.23 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -71.65 -58.38 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.902 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -52.75 -38.13 60.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 75.03 110.854 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.34 -40.27 97.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 52.34 112.473 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.3 ttp -67.71 -39.12 84.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 74.51 110.856 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.2 -53.39 45.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 73.03 110.909 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -44.76 95.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 74.02 110.842 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -66.34 -35.86 81.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.903 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.27 -55.96 17.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 75.31 110.914 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.3 -53.18 60.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.833 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -52.49 -51.91 57.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.802 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.859 -179.785 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.876 0.369 . . . . 64.12 110.864 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -58.11 -42.14 85.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.5 110.931 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.06 -35.21 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 75.35 111.118 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 mm -70.67 -58.65 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 72.05 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.5 tt -52.77 -42.98 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.099 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.98 -47.21 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 74.34 111.136 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 36.2 t -58.95 -35.78 73.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.24 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -51.79 19.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.917 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.7 t -56.16 -37.33 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.14 111.144 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.77 -52.79 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.1 111.106 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -53.44 -46.15 69.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.912 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.53 -53.63 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.859 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.86 -43.64 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.121 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.66 -49.71 61.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 72.04 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -53.25 58.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.4 110.941 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 64.7 t -59.57 -56.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 74.12 111.154 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.97 -55.28 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.25 110.916 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.11 -47.08 65.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 73.52 111.085 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.46 -34.27 75.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.935 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.9 tp -66.82 -56.77 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 61.42 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.9 pt -59.42 -34.17 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 71.13 111.146 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.31 -36.32 61.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.932 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -70.4 -36.28 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.898 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -38.68 64.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 55.34 110.911 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -32.84 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 71.53 110.905 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 37.2 mm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 74.01 111.119 179.863 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.818 0.342 . . . . 71.54 110.932 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 51.73 71.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.867 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.59 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.861 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.45 -60.46 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.921 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.61 -52.18 60.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 75.51 111.085 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.66 74.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 73.51 111.107 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -54.79 33.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.45 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 22.2 m -67.64 -30.02 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 74.2 111.172 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -67.61 -50.89 55.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.54 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -66.16 -49.08 68.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 73.13 110.87 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.05 -51.23 70.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.902 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -32.78 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.897 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.1 m -67.95 -64.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.855 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 pp -51.68 -40.81 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.14 111.144 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.4 p -60.52 -60.79 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 74.14 111.166 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 35.1 mm -57.98 -35.09 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.1 111.124 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.6 mt -61.0 -65.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 73.53 110.884 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.22 -47.6 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 73.14 111.111 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -51.85 -58.89 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.865 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -59.46 -36.33 75.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 75.42 110.875 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -59.3 5.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 73.45 110.877 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.33 -35.9 81.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 75.32 110.888 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -56.37 -48.46 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.922 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.0 mm -72.61 -53.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 75.02 111.102 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 47.1 mt -51.66 -35.64 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 71.3 111.143 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -78.24 -51.29 10.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.843 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.886 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.904 0.383 . . . . 65.12 111.161 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.1 tt -53.01 -48.93 67.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 75.43 110.881 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -50.9 -48.2 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 62.31 110.859 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -57.3 -56.46 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.21 111.062 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 26.4 t -55.2 -51.69 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 74.12 111.146 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 89.1 t -50.42 -50.1 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.155 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 89.7 t -61.46 -38.52 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 73.33 111.13 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.31 -50.81 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 74.1 111.088 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.06 -44.81 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.131 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 3.8 m -61.25 -53.33 58.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 63.04 110.849 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -55.93 -58.79 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.876 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 32.9 mm -51.45 -48.61 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 71.22 111.111 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 16.7 mt -58.9 -37.32 76.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 64.01 110.917 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.76 -58.37 7.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.83 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 7.9 pt -59.69 -45.3 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.35 111.148 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.69 -40.2 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 74.02 111.168 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 191' ' ' GLN . 3.6 mm? -75.72 -26.18 57.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.886 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.35 -50.29 60.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.955 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -89.63 13.48 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.884 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' GLN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -86.04 -169.39 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.3 110.905 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -101.21 87.48 3.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 61.42 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.11 110.858 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.94 161.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.942 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 11.6 t80 51.23 70.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 65.2 110.912 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 179.61 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 71.14 110.913 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -55.24 -44.56 75.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.41 111.132 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 21.8 mt -49.64 -35.65 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.958 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -50.37 -46.5 44.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 73.42 112.521 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.43 -38.56 69.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 75.42 110.898 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -47.53 68.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.92 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.59 -54.51 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 63.21 111.152 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 2.6 pp -62.83 -37.25 86.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.927 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -61.02 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.929 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 59.3 ttp85 -64.35 -32.99 74.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.878 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -67.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.944 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.0 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.909 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -71.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 74.34 110.857 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 72.2 t -50.62 -53.45 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.119 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -50.3 -48.93 54.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.23 111.104 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -57.44 -48.61 78.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 42.4 mm -54.47 -64.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 3.8 mp -55.29 -58.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 72.34 111.171 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -50.12 -28.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.898 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -74.03 -49.72 12.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 75.03 112.509 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 12.1 tt -66.81 -35.42 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 74.31 111.141 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.91 -50.86 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.166 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 13.9 tt -64.41 -31.22 52.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 72.4 111.114 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 82.7 p -76.98 -34.96 57.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.866 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 37.7 t -78.05 -43.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 74.34 111.128 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -66.49 -37.83 85.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 71.05 110.866 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.4 -30.33 63.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 61.35 111.146 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -80.01 -46.99 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.87 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 71.45 110.835 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.851 0.357 . . . . 74.23 110.856 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -71.98 -53.17 13.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 73.14 110.902 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -39.78 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 75.44 110.896 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.73 99.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 74.24 112.511 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 17.4 ttp -65.3 -40.06 93.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 74.34 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.33 -52.57 57.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 70.34 110.915 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.0 mtt-85 -59.37 -43.97 92.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 64.51 110.884 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -35.81 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.893 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.19 -52.8 30.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 75.12 110.928 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -39.66 88.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.2 t -71.24 -58.46 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.864 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 70.04 110.893 -179.813 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.844 0.354 . . . . 74.32 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -64.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 75.11 110.913 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.2 t -51.43 -31.45 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.169 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 50.5 mt -69.07 -74.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 64.44 111.163 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.3 pp -50.91 -35.59 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 75.34 111.089 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 68.4 mt -67.39 -49.22 73.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.4 111.126 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.2 -35.97 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 63.55 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -51.79 35.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 61.42 110.896 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 91.2 t -57.52 -42.44 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 72.2 111.137 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.67 -53.45 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 74.11 111.135 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.64 -53.81 54.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.35 110.923 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -56.08 -59.37 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 74.01 110.851 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.92 63.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 74.35 111.102 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.54 -56.06 24.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.953 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.27 -48.32 76.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.914 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.3 t -56.43 -55.52 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.141 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.95 -53.38 57.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 74.43 110.889 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.79 -53.21 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 74.44 111.086 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.04 -36.08 80.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 73.22 110.892 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.56 -56.18 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 74.24 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.3 pt -65.09 -34.13 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.09 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -49.85 73.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 75.33 110.928 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -74.52 -34.76 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.86 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.56 -33.51 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 64.15 110.893 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -90.19 -30.27 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.911 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.096 179.852 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.785 0.326 . . . . 72.52 110.888 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 58.28 34.96 24.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 70.4 110.87 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.34 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 70.05 110.907 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -76.81 -60.47 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.968 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.94 -52.28 63.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 75.31 111.131 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.31 74.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 63.3 111.121 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -53.93 50.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.869 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.01 -48.13 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 72.41 111.135 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -57.78 -50.56 72.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 74.4 110.881 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -59.01 -51.88 68.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 71.23 110.811 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -50.63 -54.87 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 62.31 110.905 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.0 ttt -54.27 -55.44 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 73.43 110.918 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.91 -58.42 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 63.45 110.8 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 7.5 mt -54.26 -45.31 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 64.45 111.132 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 94.1 m -51.77 -53.47 39.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 73.54 111.114 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.59 -37.94 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 73.45 111.13 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 13.4 tp -59.45 -65.97 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.932 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 37.1 t -54.65 -43.71 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 72.3 111.087 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -51.7 -58.71 5.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.87 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -48.24 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 62.22 110.902 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 5.4 tpt -52.35 -54.39 32.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 72.34 110.894 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -41.02 78.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 70.04 110.897 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -59.91 -46.21 90.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.879 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.97 -62.04 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 75.33 111.1 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.58 -33.62 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 73.44 111.147 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -67.15 -57.38 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 74.03 110.854 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.885 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 74.3 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.895 0.378 . . . . 75.04 111.167 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.7 -54.23 30.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.914 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -51.99 -52.07 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 61.25 110.912 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.58 -36.6 69.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 62.1 111.089 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 95.3 t -64.03 -59.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 70.24 111.1 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.58 -30.57 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.136 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 43.2 t -66.69 -57.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.14 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.47 -35.06 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 62.52 111.09 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.43 -47.25 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.5 111.122 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.3 p -65.81 -45.02 83.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 75.03 110.899 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -56.48 -59.01 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 75.43 110.85 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 8.3 tp -59.38 -35.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 73.44 111.174 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.49 -48.91 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 70.2 110.905 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.23 -56.54 20.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.876 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 19.7 pt -57.67 -33.29 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.22 111.125 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.84 -52.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 70.1 111.12 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -28.85 68.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.885 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 14.8 tp -78.67 -41.38 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -92.31 14.4 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.878 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -152.83 -179.02 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.904 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.07 -166.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.83 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -51.88 -25.51 8.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.823 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 58.89 -178.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 61.41 110.896 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 74.07 -61.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.91 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -91.29 36.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 71.23 110.923 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -101.94 -20.47 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 75.22 111.089 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 12.7 mt -45.99 -35.0 4.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.03 -41.69 29.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 62.52 112.471 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -55.31 -42.83 74.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 74.41 110.947 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 8.5 tp -66.07 -42.92 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.896 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 14.8 mm -57.25 -59.83 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 74.23 111.118 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -43.55 76.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.924 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 1.9 mp -51.55 -60.13 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 72.15 110.923 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -56.95 -45.14 83.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.839 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.72 -42.95 76.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.91 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -64.04 -58.23 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.911 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -55.76 -58.46 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.09 -58.49 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.104 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.81 -41.33 44.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 72.12 111.104 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -47.13 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 74.3 110.872 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 49.1 mm -59.06 -61.71 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.117 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 3.7 mp -53.35 -58.32 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.151 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -49.79 -38.97 36.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.868 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -65.33 -42.37 96.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 74.1 112.505 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -33.26 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 72.21 111.152 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 34.8 mm -71.11 -46.51 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.03 111.155 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 19.3 tt -67.84 -31.84 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 72.12 111.139 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 2.9 t -75.95 -34.55 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 72.51 110.84 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 41.4 t -76.41 -37.97 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 74.1 111.133 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -74.53 -37.17 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.921 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 7.2 t -73.18 -30.8 63.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.143 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -36.6 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 74.43 110.839 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.861 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.839 0.352 . . . . 75.24 110.825 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -71.85 -53.06 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.902 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -52.5 -40.18 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.876 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.47 -38.56 96.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 72.22 112.506 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.4 ttp -67.91 -39.31 83.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 73.32 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.83 -52.19 52.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 73.31 110.901 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -45.07 95.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 75.54 110.831 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -67.04 -36.13 81.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.892 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.72 -52.28 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 75.1 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -64.45 -45.63 86.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.908 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 t -58.1 -44.33 87.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 75.35 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.877 -179.836 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.314 . . . . 75.42 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -51.92 -42.57 62.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.892 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.87 -47.87 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 72.42 111.153 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.76 -35.73 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.7 mt -65.64 -61.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 75.4 111.167 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.5 tt -57.06 -35.69 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.51 111.175 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.17 -48.96 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 75.54 110.882 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.3 tp -65.27 -43.03 92.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.911 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.0 t -59.06 -55.48 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 72.51 111.145 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.66 -53.63 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.188 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.9 tp -54.24 -62.44 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 75.03 110.874 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -51.91 -41.57 62.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.898 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.75 76.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 70.42 111.1 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.15 -53.44 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 73.41 110.932 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 mt -55.29 -59.72 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.917 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.8 t -53.88 -39.71 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 72.14 111.127 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.04 -55.38 35.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.912 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.36 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.24 111.097 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -35.65 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 73.23 110.874 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.07 -54.9 26.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.0 pt -63.18 -34.2 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.153 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.49 -40.53 70.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.993 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -74.41 -35.56 63.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.13 110.885 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -70.76 -34.25 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.941 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -32.72 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.955 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.11 111.134 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.802 0.334 . . . . 73.0 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 59.28 85.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 73.51 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.34 -169.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 64.21 110.899 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -38.9 57.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.896 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.86 -52.55 59.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 61.13 111.143 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.1 -53.27 56.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 72.21 111.111 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -53.65 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.872 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 52.0 t -58.96 -52.82 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 75.11 111.127 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.02 -51.22 58.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.42 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -50.21 71.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 75.55 110.859 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -51.51 -47.19 63.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.955 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.3 ttt -62.19 -52.47 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 75.04 110.855 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.4 m -51.78 -54.43 28.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 70.12 110.805 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.68 -45.52 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.144 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 95.2 m -54.36 -45.75 72.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 63.3 111.131 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 42.5 mm -65.31 -44.5 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.32 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.23 -60.76 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.947 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 41.8 t -58.39 -43.72 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.25 111.137 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -51.74 -55.48 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.851 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -41.44 97.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.859 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -59.53 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.24 110.897 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 20.9 mmt -61.81 -40.38 95.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.891 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -52.19 -45.8 65.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.6 mm -72.68 -49.33 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.14 111.135 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 26.8 mt -51.8 -37.46 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.151 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -82.89 -45.88 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.856 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 63.01 110.891 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.856 0.36 . . . . 74.33 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.79 -52.38 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.887 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.94 -50.76 57.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.869 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -54.9 -49.49 71.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.072 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.48 -35.29 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.53 111.156 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.12 -33.61 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 72.34 111.12 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 88.9 t -72.75 -43.31 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.34 111.132 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.43 -43.35 84.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 75.44 111.165 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 10.5 p -68.52 -37.77 78.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 74.43 111.164 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 85.0 p -71.6 -40.01 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 62.42 110.859 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.75 -53.04 53.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.45 110.87 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 11.0 tt -62.99 -41.37 92.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 74.32 111.116 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.7 tp -68.62 -29.06 67.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 72.54 110.882 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.09 -51.03 23.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 63.14 110.903 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 11.9 pt -60.86 -45.08 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 54.33 111.143 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.02 -37.82 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.128 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.15 -31.2 64.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 72.22 110.953 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.17 -48.19 58.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 75.45 110.929 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -64.17 -41.04 97.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.879 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -174.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 71.43 110.93 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -103.97 35.81 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.857 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -34.72 76.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 73.45 110.861 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? 66.47 124.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.948 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 74.51 -59.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.857 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -27.89 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.872 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -46.23 -64.54 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 64.5 111.073 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.01 -36.45 61.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.925 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.74 -45.52 39.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 75.55 112.501 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -53.38 -40.25 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 73.35 110.905 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.58 -44.61 74.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 71.24 110.902 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 13.1 mm -55.11 -57.81 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.1 111.186 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 1.2 pp -57.39 -43.98 84.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 73.42 110.925 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.99 -61.23 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.92 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -34.41 75.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 72.24 110.881 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -70.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.919 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -57.89 -31.32 66.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.863 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -74.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 73.32 110.885 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 13.8 p -51.15 -35.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.11 111.113 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -60.44 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 71.13 111.071 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -55.34 -38.33 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.2 110.874 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 33.1 mm -59.28 -69.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.15 111.146 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 3.3 mp -58.31 -59.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 64.34 111.168 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -50.56 -32.69 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.913 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.46 -45.14 55.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 70.43 112.498 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 1.7 tt -65.21 -33.79 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 75.14 111.137 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 31.8 mm -71.84 -50.69 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 71.12 111.127 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 21.4 tt -63.43 -31.91 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.169 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 5.0 t -76.7 -35.18 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.834 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 35.1 t -76.98 -42.57 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 74.31 111.123 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -68.58 -37.77 80.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 72.11 110.91 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.25 -30.39 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 74.4 111.136 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -144.27 110.53 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.867 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.848 -179.787 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.876 0.37 . . . . 75.35 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -71.82 -58.43 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.874 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -39.19 61.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 75.31 110.883 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.13 99.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 33.53 112.503 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.82 -40.08 91.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 75.35 110.865 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.2 mt -64.57 -54.08 37.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.913 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -59.09 -42.39 90.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -67.54 -40.26 85.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.911 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.56 -53.92 51.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.912 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.47 -55.85 23.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 90.3 p -52.2 -36.45 52.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.826 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.895 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.5 p90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.858 0.361 . . . . 75.43 110.865 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.41 -49.93 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.952 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.48 -32.91 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 75.33 111.097 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 35.2 mt -66.55 -59.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 73.13 111.163 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.1 tt -56.79 -39.77 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 75.52 111.16 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.2 mt -69.21 -43.11 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 74.01 111.161 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.0 t -63.43 -35.65 81.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 53.33 110.845 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.23 -51.78 19.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 64.43 110.883 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.9 t -56.51 -44.5 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.156 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.52 -44.83 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 74.22 111.101 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.51 -55.91 24.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 75.04 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.89 -49.38 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.891 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.81 -47.95 64.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 72.1 111.095 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.07 -43.32 87.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 72.43 110.907 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.76 -59.64 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.891 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.07 -54.59 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 74.04 111.095 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.4 tp -51.91 -55.34 20.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 73.32 110.911 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.79 -45.02 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.51 111.098 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.94 -35.91 79.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -56.51 9.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.899 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.8 pt -59.0 -34.56 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.42 111.118 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -56.79 6.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.902 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -52.48 50.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.44 110.882 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.64 -33.82 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 65.12 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -54.49 -50.58 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.35 110.864 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 2.6 pt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.105 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.814 0.34 . . . . 74.22 110.951 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 51.65 86.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.873 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 179.48 -76.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.898 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -77.15 -60.55 2.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 65.04 110.954 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.52 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 74.52 111.095 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.65 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 60.24 111.148 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -54.18 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.841 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 67.1 t -51.58 -55.99 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.42 111.098 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -53.31 -50.96 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.87 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.59 -45.08 85.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.72 -49.95 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 73.02 110.908 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 2.4 mtp -61.16 -38.6 87.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.851 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.1 t -60.24 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 70.54 110.821 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 7.2 tp -58.86 -35.38 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 74.34 111.138 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 70.4 m -59.74 -56.09 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 72.23 111.174 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 74.8 mt -65.94 -34.61 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.3 111.145 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.06 -63.74 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 75.44 110.898 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.71 -49.17 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.114 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -51.92 -59.06 4.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.868 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.03 -50.67 63.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 75.45 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -49.48 62.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.88 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -42.4 90.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.895 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -60.25 -42.48 95.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.92 -61.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.24 111.14 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 25.2 pt -53.55 -32.46 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.11 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.13 -58.49 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 75.44 110.898 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.893 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 51.1 mm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.838 0.351 . . . . 74.43 111.164 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 4.4 tt -52.27 -56.9 11.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.931 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -51.74 -51.54 55.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 70.23 110.841 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.58 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.096 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 68.5 t -72.66 -30.84 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.31 111.105 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 99.0 t -76.66 -39.26 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.54 111.128 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 29.2 m -70.44 -38.64 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 72.41 111.121 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 30.8 m -72.47 -44.25 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 72.41 111.104 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.64 -37.42 77.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 61.01 111.121 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 83.6 p -68.99 -51.58 37.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.849 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -57.86 -48.34 80.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.883 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 66.9 mt -57.4 -51.18 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 73.11 111.126 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -38.08 74.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.916 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.33 -57.37 11.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.835 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.1 pt -61.99 -40.84 88.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 73.5 111.131 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 37.8 t -55.7 -48.69 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.24 111.178 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -30.75 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 74.04 110.932 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 16.9 tp -58.74 -50.39 74.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.922 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -79.98 -23.95 41.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.848 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -45.7 -38.65 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -163.66 169.62 18.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.856 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -90.99 45.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 73.45 110.833 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.4 121.47 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.879 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.16 -34.31 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.867 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -51.77 -33.33 34.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.903 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -52.02 -47.47 64.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 70.25 111.116 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.35 -34.86 25.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 70.53 110.942 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.36 -41.76 32.61 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.763 -0.732 . . . . 71.33 112.483 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 2.6 mp -52.57 -43.69 65.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 71.21 110.882 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.35 -42.08 84.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.918 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 13.2 mm -58.18 -57.56 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.32 111.131 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 1.1 pp -58.05 -43.39 86.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 2.0 mp -51.96 -61.29 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 71.42 110.9 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -60.06 -33.22 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.841 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 23.1 tp -64.32 -46.82 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -62.88 -53.21 57.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.952 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -61.72 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 71.1 110.867 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 91.7 t -51.54 -63.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 74.44 111.106 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -47.88 -44.57 29.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.54 111.1 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -56.78 -53.08 61.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.887 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 46.7 mm -56.3 -63.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 74.13 111.151 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 3.5 mp -51.27 -59.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 65.23 111.095 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -50.64 -33.15 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 72.12 110.879 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -69.7 -45.39 58.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 75.05 112.476 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -33.91 66.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 71.45 111.131 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 34.8 mm -72.02 -53.44 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 75.23 111.136 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.13 -31.66 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 72.23 111.124 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 4.3 t -76.22 -36.1 58.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.881 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 24.2 t -73.86 -29.52 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 62.45 111.09 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -54.44 -33.69 60.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.894 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 2.9 t -72.73 -24.52 60.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 72.44 111.147 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.57 -84.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 75.54 110.824 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.855 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.842 0.353 . . . . 64.2 110.849 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -71.63 -58.39 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.904 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.0 -37.06 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.865 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.16 96.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 71.22 112.52 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.4 ttp -65.27 -38.9 91.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 72.54 110.867 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.37 -54.45 28.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.927 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -59.83 -41.75 92.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 75.41 110.918 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -68.12 -36.23 79.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 74.33 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.72 -54.83 25.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.952 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -47.01 86.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.54 110.918 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 t -60.43 -38.42 84.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.871 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 65.14 110.875 -179.837 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.775 0.322 . . . . 73.33 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -51.78 -40.38 60.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.897 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.67 -47.18 94.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 71.23 111.128 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.2 mt -60.65 -56.53 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.11 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.8 mt -51.8 -56.77 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 65.03 111.128 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 51.8 mt -58.18 -39.88 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 73.34 111.151 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.6 t -65.01 -33.74 76.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 62.05 110.863 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.2 tt -71.34 -52.33 19.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.904 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.5 m -60.19 -39.23 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.41 111.091 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 71.5 t -72.64 -45.44 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 74.04 111.131 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 -49.91 72.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.933 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.48 -48.48 64.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.864 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.03 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 73.02 111.117 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.73 -40.83 75.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 75.42 110.89 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -58.29 -55.48 34.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.949 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.53 -53.37 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 64.5 111.112 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.1 tp -51.82 -55.31 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.55 -48.92 76.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.1 111.092 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -35.72 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 70.35 110.868 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.98 -56.64 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.882 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.8 pt -60.03 -33.99 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.3 111.136 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.25 -51.04 41.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.909 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -57.87 -44.52 86.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.86 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.82 -35.87 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -54.76 -35.7 64.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.935 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 47.9 mm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 73.45 111.148 179.849 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.752 0.311 . . . . 73.3 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 51.28 62.71 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 73.14 110.861 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 179.58 -165.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.886 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -46.49 -47.25 19.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.51 110.951 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.76 -41.99 71.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 72.55 111.093 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.76 -50.56 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 75.03 111.122 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.5 ttp -51.79 -53.92 34.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.876 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.76 -45.18 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 63.22 111.14 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.33 -48.64 78.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.914 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -61.89 -50.72 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 74.1 110.877 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -46.32 64.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.938 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.9 ttp -65.04 -42.18 94.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.43 110.85 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 t -60.8 -50.86 71.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 71.43 110.912 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.3 mm -60.45 -52.38 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 74.3 111.091 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 62.6 m -51.54 -51.86 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.115 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 42.9 mt -63.2 -34.99 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 75.54 111.142 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -62.49 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.873 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.05 -35.42 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 61.33 111.138 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -64.09 -51.2 65.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.828 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.37 -46.23 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 75.14 110.868 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -59.64 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.881 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -36.15 68.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.7 -53.54 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.834 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.57 -55.37 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 73.43 111.122 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 44.2 mm -53.0 -38.69 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.183 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -70.6 -55.46 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.916 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.902 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 31.7 mm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.841 0.353 . . . . 73.01 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 4.3 tt -52.99 -57.25 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.916 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -49.79 -45.5 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 73.41 110.864 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -51.81 -56.35 14.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 73.13 111.114 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.29 -41.01 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.125 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.04 -64.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 64.11 111.111 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 31.2 m -54.39 -33.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 73.02 111.127 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 41.7 t -66.17 -44.4 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.104 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.04 -44.78 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 63.35 111.117 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 70.8 m -61.88 -53.14 59.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 61.44 110.882 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -56.46 -58.96 5.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 73.01 110.884 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 78.5 mt -52.73 -50.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.51 111.111 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.14 -35.29 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.932 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.29 -57.78 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.851 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.0 pt -61.5 -40.02 84.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 75.2 111.156 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.27 -54.78 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 75.23 111.151 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.74 -33.96 74.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 75.21 110.931 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -46.92 86.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 62.44 110.884 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -91.4 13.46 17.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.932 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -110.61 -74.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 75.14 110.892 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -26.3 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 62.21 110.891 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 1.4 t60 64.81 34.56 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.844 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -119.12 175.5 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.877 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -54.46 -25.76 27.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.35 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -46.39 -35.98 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.902 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.47 67.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 73.51 111.079 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.56 -35.21 73.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.889 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -48.16 -37.1 16.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 52.35 112.465 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.0 -44.65 97.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 75.01 110.919 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -35.9 82.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.926 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 10.1 mm -64.78 -58.84 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 71.12 111.135 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.61 -35.52 65.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.885 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.72 -54.75 26.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.909 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -58.49 -39.71 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.909 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.29 -35.84 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.883 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.62 -51.87 20.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.889 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -46.9 88.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 73.05 110.863 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 209' ' ' VAL . . . . . 0.404 ' O ' ' HB ' ' A' ' 213' ' ' ILE . 6.0 p -64.9 -36.98 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.117 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -61.5 -56.96 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.3 111.124 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -63.65 -51.88 63.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.901 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 19.5 mm -51.23 -68.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 75.13 111.12 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' A' ' 209' ' ' VAL . 1.7 mp -49.73 -39.79 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.41 111.151 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -63.82 -37.03 85.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 63.34 110.896 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.05 -44.94 59.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 74.15 112.498 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 5.9 tt -68.5 -36.01 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 75.23 111.129 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.84 -47.96 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 71.32 111.118 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 10.7 tt -66.47 -33.67 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 64.04 111.136 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.2 p -77.1 -32.29 56.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 19.9 t -78.83 -39.33 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 72.32 111.106 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -72.14 -35.97 69.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.901 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 10.3 t -72.48 -29.69 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.22 111.167 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.02 28.39 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 73.11 110.85 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.887 -179.801 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.852 0.358 . . . . 50.31 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -71.81 -58.35 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.906 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -40.16 62.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.15 110.856 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.63 -39.98 98.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.664 -0.779 . . . . 75.34 112.475 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.5 ttm -67.12 -39.92 86.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 72.35 110.859 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.09 -53.03 56.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.939 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -60.39 -45.1 94.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.869 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -65.75 -35.8 81.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.902 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mt -64.61 -57.57 8.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 65.32 110.932 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -58.65 -50.61 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.5 t -56.94 -43.14 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 72.25 110.887 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 75.31 110.876 -179.813 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.784 0.326 . . . . 73.42 110.938 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -51.94 -46.47 64.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.972 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.9 t -52.74 -47.91 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 72.4 111.176 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 53.2 mt -63.39 -44.27 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 74.34 111.137 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.01 -63.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 74.43 111.167 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.1 tt -58.24 -35.56 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.03 111.115 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 38.2 t -56.68 -57.15 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 65.35 110.875 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.3 tp -62.7 -48.54 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 73.43 110.936 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 88.8 t -52.23 -56.4 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.33 111.128 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.73 -38.63 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.34 111.082 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.83 -52.43 65.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.918 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.67 -55.29 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.896 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.85 -49.99 67.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 55.51 111.081 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.08 -35.63 80.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 73.22 110.938 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.27 -59.65 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 75.01 110.915 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.7 p -59.98 -38.76 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 54.24 111.139 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.67 -55.4 23.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.04 110.973 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.28 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.124 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -51.55 68.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.847 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 -56.63 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 75.43 110.912 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -29.48 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 72.43 111.149 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.6 mt -69.47 -56.92 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 74.23 110.907 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.32 -36.0 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.858 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.22 -30.8 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.23 110.908 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.43 -35.39 65.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.937 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.22 111.156 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.795 0.331 . . . . 74.22 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.99 91.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.929 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.84 -174.24 4.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.955 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -35.71 73.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.928 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.69 -53.9 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 52.32 111.095 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.78 -34.59 77.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 63.13 111.155 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.81 -52.7 59.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.867 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.3 -32.42 57.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 74.33 111.127 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -51.4 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.909 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -42.85 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 71.4 110.853 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.39 -44.81 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.909 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.43 -36.53 81.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.858 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 12.1 t -66.46 -56.98 8.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.858 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.6 pp -61.93 -34.71 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 74.11 111.133 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.9 m -65.65 -65.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.25 111.177 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.4 tp -55.57 -33.47 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.112 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.43 -64.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.91 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.88 -45.85 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 71.11 111.121 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.32 -53.41 51.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 74.24 110.884 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -58.37 -55.43 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 73.43 110.845 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 32.7 tpp -51.93 -58.45 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.855 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -39.95 60.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.885 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -61.39 -49.23 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 73.45 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.1 mm -59.83 -59.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 71.52 111.139 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 18.8 tt -54.68 -34.54 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 70.12 111.097 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.59 -58.81 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.41 110.908 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 73.52 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 57.4 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.869 0.366 . . . . 74.22 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.06 -48.73 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 74.24 110.927 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -50.39 -52.2 39.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 71.43 110.85 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.3 -53.37 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.09 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.32 -57.28 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 75.42 111.086 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 99.0 t -50.69 -37.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 74.03 111.164 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.23 -63.46 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 63.4 111.143 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.65 -39.25 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.16 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.89 -46.88 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 72.1 111.174 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -41.46 79.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.853 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -55.34 -60.49 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.885 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 3.5 tt -60.0 -45.32 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 74.31 111.09 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 34.0 tp -58.61 -39.22 79.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.15 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.93 -56.8 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.847 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.9 pt -61.07 -40.0 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 75.43 111.151 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.4 -54.04 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.23 111.11 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -30.59 70.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 74.5 110.887 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.04 -49.71 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.935 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -80.75 -37.51 30.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.918 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -51.87 106.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.958 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 59.3 172.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 73.25 110.849 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -88.87 48.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 61.32 110.826 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -94.56 89.35 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.6 -30.58 21.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.51 110.851 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -50.01 -31.24 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.846 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -48.8 -32.94 9.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 62.04 111.089 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 1.5 mp -48.29 -34.68 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 72.03 110.914 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -50.05 -36.54 28.09 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.761 -0.733 . . . . 74.32 112.5 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.23 -44.65 83.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 75.31 110.961 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.99 -44.02 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.52 110.924 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 7.8 mt -55.07 -58.26 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 73.3 111.153 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.68 -42.28 88.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.41 110.901 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -60.63 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.951 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -63.0 -32.0 73.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 75.21 110.825 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 7.3 tt -56.6 -68.03 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 71.33 110.919 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -63.13 -33.07 74.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.916 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -62.45 -68.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.866 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 8.4 p -56.6 -34.68 42.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 70.24 111.153 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -67.32 -36.4 81.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 74.31 111.108 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -55.08 10.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.88 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 5.4 tp -56.54 -44.98 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.3 111.116 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 217' ' ' ILE . 78.0 mt -64.11 -60.29 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.22 111.169 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -51.94 -29.71 21.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.53 110.909 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.72 -54.32 10.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 74.05 112.496 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 12.0 tt -59.55 -33.86 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 74.44 111.116 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 217' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 213' ' ' ILE . 7.8 mm -68.58 -57.46 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.22 111.136 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 29.4 pt -59.87 -29.53 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 74.44 111.17 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 58.3 m -76.49 -35.78 58.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 75.02 110.873 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 42.4 t -77.45 -38.31 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 62.25 111.105 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -71.69 -36.81 70.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.52 110.899 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 9.9 t -72.78 -29.6 63.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.12 111.123 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 29.08 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.866 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.826 -179.77 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.82 0.343 . . . . 71.14 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -71.73 -58.95 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 75.12 110.89 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -25.36 66.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.877 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.91 -43.95 39.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 54.5 112.498 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 57.4 ttp -70.25 -38.86 75.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 73.44 110.832 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.07 -50.14 51.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 74.33 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -62.9 -44.72 95.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 73.3 110.878 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -38.74 89.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.4 110.898 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.67 -61.06 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.895 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -55.6 -48.28 75.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.2 110.891 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 t -59.47 -50.71 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 74.42 110.865 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 70.14 110.832 -179.784 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.855 0.36 . . . . 74.13 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -51.92 -45.77 64.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 72.34 110.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 64.7 t -59.73 -51.93 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 75.12 111.138 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.2 mt -57.94 -45.64 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 63.5 111.172 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.7 mt -58.24 -64.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 71.12 111.132 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.2 mm -51.61 -55.91 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 74.51 111.107 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.2 m -51.94 -45.65 64.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.87 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.47 -40.74 97.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.962 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.34 -56.43 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 73.25 111.121 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.45 -37.32 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 72.02 111.166 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.4 mt -65.05 -64.35 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.908 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -53.26 -45.96 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.826 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.21 75.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 61.11 111.078 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.9 -49.89 75.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.948 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.01 -59.77 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.867 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 66.8 t -52.68 -56.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 72.24 111.137 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.9 tp -54.16 -51.04 65.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.952 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.75 -52.71 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 73.31 111.093 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -63.42 -35.33 80.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 70.03 110.904 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.5 tp -63.82 -56.33 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.898 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 pt -63.05 -33.18 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.22 111.147 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -56.79 13.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 70.13 110.924 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.98 -34.98 77.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 72.43 110.845 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.16 -32.5 71.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 65.32 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -86.13 -32.94 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 64.3 110.869 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.13 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.744 0.307 . . . . 72.12 110.953 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 51.43 43.61 29.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 71.21 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.88 -75.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 70.14 110.898 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -76.39 -60.49 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 70.33 110.961 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.38 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 74.13 111.08 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.25 71.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.15 111.043 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -54.18 49.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 71.43 110.85 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 70.3 t -50.41 -56.19 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.115 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -56.98 -38.8 73.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -64.16 -53.88 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 75.51 110.86 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -55.49 -39.71 70.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.929 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.7 ttt -68.38 -37.86 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.25 110.906 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.4 t -69.37 -46.77 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.832 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 8.0 tp -65.79 -34.7 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 75.54 111.156 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 11.7 p -68.43 -52.94 27.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.22 111.123 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.18 -34.24 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.2 111.129 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 11.8 mt -67.39 -59.96 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.916 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.69 -40.27 81.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.11 111.149 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -60.05 -52.43 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.928 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -57.46 -55.52 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.32 110.894 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.35 -55.33 32.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 65.41 110.877 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 1.1 mmt -52.06 -41.95 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 63.45 110.861 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.13 -50.67 72.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.5 mm -56.59 -59.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.41 111.09 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.52 -34.9 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 65.51 111.139 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.03 -62.66 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.51 110.889 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 75.45 110.941 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.893 0.378 . . . . 74.41 111.159 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.66 -42.74 89.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.1 110.895 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -50.58 -51.02 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.894 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -55.68 -56.23 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 71.31 111.094 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 42.0 t -53.18 -52.61 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.11 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 93.4 t -50.95 -47.57 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.42 111.087 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 99.6 t -64.09 -34.0 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.157 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.87 -47.36 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.34 111.128 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.57 -41.35 85.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 65.5 111.182 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 5.4 p -68.15 -48.27 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.846 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -61.13 -50.1 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.891 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.1 -46.84 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.21 111.195 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.7 -39.96 74.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.884 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -65.0 -57.44 8.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 71.32 110.842 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 25.8 pt -59.72 -36.6 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.1 111.161 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.37 -54.46 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 74.53 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -28.76 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.951 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 18.1 tp -66.19 -49.8 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.12 110.87 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -77.38 -34.89 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.85 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -90.1 -166.62 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 74.55 110.924 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 68.22 -80.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 75.12 110.917 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.67 34.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 73.13 110.877 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 58.16 174.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.914 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 2.9 t80 59.44 171.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 74.35 110.81 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 51.06 35.01 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 74.45 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -113.31 -33.72 5.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 61.53 111.115 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -35.75 17.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.943 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -50.01 -50.51 32.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 73.33 112.507 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.77 -43.19 62.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 72.4 110.938 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.27 -41.8 99.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.54 110.943 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.79 -62.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 75.1 111.194 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . 0.4 ' CD1' HD13 ' A' ' 204' ' ' LEU . 0.3 OUTLIER -52.23 -37.68 55.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 70.21 110.931 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' A' ' 203' ' ' LEU . 3.2 mp -59.57 -56.95 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -61.43 -37.67 84.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.881 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 26.2 mt -58.62 -47.48 84.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 70.4 110.916 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -64.17 -53.1 54.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.897 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -58.13 -61.6 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.891 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 82.9 t -49.09 -56.32 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 72.33 111.11 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.45 -54.69 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 73.1 111.089 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -55.8 -46.41 78.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.869 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 18.2 mt -54.56 -69.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 73.53 111.169 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 4.0 mp -52.83 -58.78 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 72.22 111.13 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -50.09 -28.79 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.831 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -74.28 -48.93 13.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 62.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 12.4 tt -67.58 -34.51 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 75.15 111.104 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 13.7 mm -72.34 -49.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 73.22 111.104 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 7.6 tt -64.33 -32.82 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 70.33 111.136 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 8.9 t -77.57 -35.15 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 74.33 110.829 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 18.6 t -77.14 -36.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.12 111.114 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -76.14 -36.46 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.54 110.938 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 7.2 t -73.18 -30.93 63.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 74.32 111.13 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -102.57 -74.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.51 110.907 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.886 -179.797 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.801 0.334 . . . . 74.42 110.819 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -71.84 -58.4 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 65.4 110.913 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -36.73 61.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 72.44 110.85 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.34 -43.68 94.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 62.21 112.488 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -64.81 -38.88 92.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 73.43 110.9 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.2 mt -65.53 -53.79 37.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.14 110.909 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -58.97 -41.9 88.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.21 110.853 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -66.48 -37.66 85.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.953 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.39 -52.71 56.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.42 110.89 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.97 -38.23 90.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.828 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.4 m -61.38 -53.29 58.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.84 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 70.52 110.841 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.833 0.349 . . . . 63.53 110.926 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -57.58 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 73.52 110.934 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.63 -47.94 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 72.21 111.122 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.1 mt -56.81 -46.93 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 74.31 111.151 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.4 mt -59.18 -63.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.01 111.088 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.3 pt -53.58 -33.38 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 72.35 111.136 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.83 -57.78 9.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.852 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.6 tp -61.34 -45.1 95.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.918 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 97.4 t -53.48 -55.73 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 74.41 111.087 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 99.6 t -61.8 -49.89 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 71.25 111.099 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.07 -57.81 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 71.52 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.72 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 73.1 110.897 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.14 -52.91 60.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 64.51 111.134 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.59 -32.34 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 64.25 110.925 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -56.19 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.889 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.6 t -62.15 -44.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 64.05 111.151 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.38 -54.2 46.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.126 -0.488 . . . . 70.44 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.91 -53.27 55.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 65.44 111.103 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.71 -36.05 79.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.874 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -56.56 20.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 75.35 110.882 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.7 pt -64.76 -34.12 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.121 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -53.88 53.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.946 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -74.47 -36.09 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.856 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.97 -35.89 71.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 75.2 110.946 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -50.93 43.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.926 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.435 ' O ' ' CG2' ' A' ' 126' ' ' ILE . 6.6 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 73.02 111.158 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.769 0.318 . . . . 74.55 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 51.64 79.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.05 110.86 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.38 -169.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.893 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -36.03 43.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.52 110.985 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.33 -52.17 55.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 74.42 111.125 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.11 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 72.01 111.115 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.59 -54.24 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.886 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.26 -56.13 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 62.43 111.131 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -52.63 -50.91 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.902 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -56.75 -53.13 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 55.21 110.838 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.38 -41.9 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 73.54 110.923 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -37.6 85.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 74.24 110.914 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -49.99 52.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.886 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 8.0 tp -62.68 -35.92 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.43 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 13.9 p -67.41 -55.05 15.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.41 111.107 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 32.1 mm -58.15 -39.87 74.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 75.54 111.122 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 26.4 tp -63.86 -56.76 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 74.03 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.7 -54.87 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.128 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -51.72 -54.29 29.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 72.1 110.828 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -54.17 -43.94 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.842 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -56.64 18.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 71.11 110.848 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -42.43 70.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.91 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -58.35 -61.38 2.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.838 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.0 mm -51.58 -60.2 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 74.45 111.128 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 43.7 mm -51.32 -44.33 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.01 111.158 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -54.36 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.55 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.898 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 51.3 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.848 0.356 . . . . 74.24 111.117 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.9 -53.49 54.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 73.53 110.949 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -47.65 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.841 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.91 -56.85 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.166 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 22.1 t -57.02 -39.71 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.135 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 97.3 t -56.87 -64.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 72.21 111.139 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 31.6 m -55.47 -33.43 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 64.03 111.128 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 41.9 t -66.1 -59.93 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.159 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 60.5 t -54.62 -34.23 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 71.24 111.103 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 19.7 m -68.2 -51.28 47.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 64.44 110.852 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -55.36 -51.62 66.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 71.11 110.868 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.32 -40.63 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 71.32 111.105 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.45 -53.04 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.933 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.73 -56.72 17.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.11 110.852 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 18.4 pt -59.49 -34.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.34 111.121 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.84 -53.18 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 71.45 111.136 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.68 -32.95 74.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.904 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.42 -50.25 74.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.884 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -70.91 -35.13 72.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.89 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -61.61 -165.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 73.52 110.916 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -92.42 25.96 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.893 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -95.9 44.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 74.51 110.865 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -45.14 131.63 7.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.946 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 7.6 t80 63.66 35.5 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.44 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.66 30.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.905 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -118.72 -48.33 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 73.12 111.071 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 15.0 mt -51.2 -34.76 33.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.899 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -48.83 -44.95 31.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 44.4 112.534 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.37 -45.09 45.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 73.41 110.948 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 9.6 tp -67.51 -43.18 81.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 63.12 110.942 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 14.9 mm -56.66 -58.28 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.118 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -45.55 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 63.31 110.909 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.6 -60.71 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 71.45 110.923 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -34.29 75.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.897 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 26.0 tp -55.94 -70.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 -59.31 -32.56 70.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.885 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -61.41 -75.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 74.31 110.834 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 19.5 m -51.9 -33.05 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 74.42 111.113 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -59.84 -69.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 74.23 111.086 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -41.6 59.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.888 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 31.5 mm -60.15 -74.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 71.13 111.12 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 4.4 mt -50.43 -59.46 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 71.32 111.115 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -50.6 -36.8 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.1 110.91 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -65.28 -42.95 95.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.796 -0.716 . . . . 72.13 112.457 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.79 -32.98 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 75.24 111.102 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 36.7 mm -71.56 -41.22 72.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 74.43 111.14 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . 0.415 ' HA ' ' HG2' ' A' ' 221' ' ' LYS . 19.9 tt -74.25 -27.93 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.119 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 28.4 t -77.13 -35.84 55.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.863 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 35.8 m -78.57 -39.46 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 61.22 111.1 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 221' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 218' ' ' ILE . 6.9 ptpt -69.83 -36.72 75.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 74.54 110.901 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 7.5 t -74.32 -30.94 62.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 70.44 111.168 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.48 135.15 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.832 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.859 -179.839 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.833 0.349 . . . . 74.02 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -56.19 -48.0 77.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.845 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.403 ' HA ' ' CD2' ' A' ' 92' ' ' LEU . 6.7 mpt_? -59.21 -29.55 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.864 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.25 -51.2 7.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 65.3 112.498 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.6 ptm -57.47 -42.57 82.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 74.41 110.861 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 89' ' ' ARG . 4.7 pp -74.16 -35.73 64.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 74.41 110.889 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -47.16 86.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.832 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -34.32 57.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.23 -50.26 73.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.06 -49.18 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.892 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.0 t -52.3 -36.17 52.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.855 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 61.21 110.852 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.8 t80 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.837 0.351 . . . . 74.33 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -55.9 -56.14 24.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 72.24 110.935 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.5 t -52.03 -46.9 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 65.22 111.139 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 33.1 mt -55.59 -60.84 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.34 111.21 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.9 mm -53.01 -59.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.05 111.164 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.6 mm -51.5 -36.37 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 73.21 111.157 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 3.6 m -69.89 -34.35 73.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 75.4 110.859 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.65 -48.01 50.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 70.13 110.935 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.5 m -63.36 -42.94 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 73.33 111.118 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.29 -33.5 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.44 111.142 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.6 mt -66.22 -55.75 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.926 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.57 -41.31 98.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.87 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.38 89.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 65.21 111.112 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.74 -47.08 82.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.25 110.93 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.83 -59.77 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.932 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 85.2 t -52.57 -56.02 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 70.4 111.149 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.2 tt -53.82 -47.33 70.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.932 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.2 -47.51 68.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 63.12 111.123 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -62.77 -43.6 98.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.72 -56.62 18.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 73.3 110.942 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.3 pt -63.1 -33.48 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.55 111.111 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.31 -54.66 44.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.921 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -66.75 -47.72 71.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.24 110.881 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.2 mp -57.52 -31.32 65.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.51 110.943 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -50.64 43.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.862 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.197 179.829 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.766 0.317 . . . . 75.35 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 65.06 35.17 8.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.877 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 179.31 -80.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -78.24 -60.96 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 61.22 110.94 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.94 -52.15 66.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 72.21 111.094 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -54.88 -44.36 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.51 111.075 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -53.49 57.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.885 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.31 -56.34 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 75.33 111.102 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -51.95 -51.46 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 73.43 110.865 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -62.83 -48.27 79.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.874 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -51.82 -54.32 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 74.43 110.914 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.1 ttp -62.08 -38.71 89.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 74.52 110.881 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.9 t -63.87 -67.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 74.21 110.849 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.5 pp -50.84 -36.45 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 75.31 111.143 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 11.2 m -60.8 -55.77 29.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 65.11 111.135 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 39.2 mm -65.56 -48.59 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.02 111.137 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.1 tp -54.68 -59.9 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.945 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.07 -37.67 69.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 73.5 111.131 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -54.9 -62.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.939 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.7 -42.06 87.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 75.13 110.88 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -59.46 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.901 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 2.2 ttt -57.45 -37.13 72.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 71.52 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -52.48 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.12 110.874 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 49.7 mm -64.19 -56.55 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 73.15 111.106 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 80.9 mt -51.77 -60.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 72.42 111.154 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -51.96 -49.76 62.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.888 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 73.35 110.888 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 51.4 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.889 0.376 . . . . 73.55 111.149 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.8 tt -57.07 -51.82 67.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.89 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.65 -51.56 47.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.859 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -51.85 -54.15 32.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.43 111.086 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 92.7 t -60.1 -39.18 79.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.11 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 91.5 t -66.68 -34.41 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.52 111.135 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.36 -52.75 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 73.41 111.13 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.14 -44.84 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 70.31 111.116 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.62 -33.04 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 63.55 111.127 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -53.64 46.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.85 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -62.78 -49.13 76.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 73.42 110.855 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 88.3 mt -57.76 -55.88 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 73.42 111.126 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 52.8 mt -57.32 -35.38 69.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.887 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.02 -56.98 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 52.11 110.835 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 14.1 pt -65.92 -41.57 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 64.24 111.154 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.5 -53.94 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 75.11 111.124 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -32.07 70.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.918 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.33 -50.79 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 65.34 110.926 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -81.02 -25.38 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.899 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -49.46 -71.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 73.32 110.887 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -85.59 -28.87 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.85 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.24 32.22 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.02 110.853 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -178.36 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.873 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -52.03 -26.91 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.54 110.855 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.29 -34.42 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 74.51 110.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -51.05 -54.47 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 63.12 111.087 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 4.3 mp -51.13 -40.16 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -51.48 -48.71 48.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 74.33 112.528 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 3.4 mt -51.02 -41.26 59.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 73.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -48.15 68.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.928 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.58 -59.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.34 111.141 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 1.2 pp -56.62 -44.41 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 63.24 110.891 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 1.6 mp -50.98 -61.04 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 62.11 110.938 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -35.44 72.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.25 110.916 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.2 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.15 110.966 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 29.1 m0 -61.22 -46.88 88.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.42 110.951 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -68.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.886 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 17.0 m -51.33 -32.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 54.22 111.126 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -60.08 -68.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 72.24 111.079 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -51.38 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.914 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 42.6 mm -52.87 -69.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.41 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 49.1 mt -50.15 -59.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.121 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -49.69 -29.16 6.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.03 110.888 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -73.83 -49.87 12.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 75.32 112.476 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 12.2 tt -66.92 -35.4 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 73.31 111.102 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 12.0 mm -70.52 -51.57 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.14 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 13.8 tt -64.1 -31.0 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 71.43 111.12 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 25.7 t -76.85 -34.99 57.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.861 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 38.0 t -77.96 -44.11 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 74.45 111.129 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -66.32 -37.86 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 71.5 110.888 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.1 t -73.36 -30.4 63.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 71.54 111.164 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -125.53 90.12 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.901 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 75.11 110.887 -179.824 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.854 0.359 . . . . 74.0 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -70.98 -53.99 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.842 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -51.72 -37.81 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 75.35 110.89 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.21 -42.57 97.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 73.33 112.503 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.5 ttm -66.51 -38.21 86.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 73.14 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.42 -53.35 44.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 72.25 110.898 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -45.84 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.2 110.864 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -64.94 -35.82 82.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.68 -59.95 3.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 75.41 110.913 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.71 -51.16 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.863 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.6 m -53.27 -54.88 29.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 70.31 110.855 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.837 -179.822 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 70.2 110.831 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.18 -34.88 33.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.01 110.931 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.7 t -64.17 -64.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 72.55 111.184 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.4 pt -55.21 -34.86 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.03 111.14 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.6 mt -70.12 -67.55 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 63.14 111.128 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 50.4 mt -51.4 -39.91 22.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 65.42 111.119 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.6 t -66.3 -49.59 66.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 75.52 110.883 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.48 -35.96 80.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.951 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.7 t -66.96 -51.67 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.44 111.182 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 93.9 t -58.75 -52.1 64.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 74.42 111.172 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -59.43 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.935 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -52.1 -44.53 64.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.898 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.03 77.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 75.02 111.148 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -50.7 73.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.905 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -59.66 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.2 t -51.99 -51.17 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 72.25 111.147 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 24.6 tp -51.88 -55.31 20.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.934 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.91 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 62.41 111.133 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.0 -35.82 79.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 61.34 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.89 -56.49 11.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 74.55 110.905 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 21.4 pt -59.97 -34.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 75.02 111.087 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.01 -56.8 5.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 71.11 110.916 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -58.43 -47.3 84.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 73.53 110.852 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.95 -45.16 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.912 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -54.83 -32.55 60.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.883 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.1 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 74.21 111.128 179.852 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.857 0.361 . . . . 71.41 110.888 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.2 m120 56.98 42.95 25.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.67 -64.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 71.33 110.86 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.91 -56.81 4.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 74.12 110.923 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.46 -52.28 47.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 75.25 111.105 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.4 96.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 65.13 111.1 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -53.95 49.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.875 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.0 t -63.71 -52.18 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.23 111.096 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -51.72 -50.89 59.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 72.42 110.897 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -60.42 -50.82 72.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 74.23 110.83 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.23 -48.4 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.982 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -50.57 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 73.12 110.863 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.8 t -52.52 -47.76 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 71.53 110.878 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.41 -49.54 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 75.02 111.081 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 10.4 m -52.68 -46.61 67.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.157 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 43.2 mm -64.74 -45.23 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 71.22 111.129 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.1 mt -53.58 -57.91 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 74.03 110.927 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.72 -49.13 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.11 111.084 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -51.95 -55.63 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.51 110.904 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -43.93 80.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.883 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -59.13 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 71.44 110.835 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -41.34 76.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 62.52 110.919 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -54.46 -50.42 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 75.33 110.896 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.5 mm -64.15 -55.92 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.153 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 43.5 mm -52.01 -37.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 74.33 111.112 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.17 -59.92 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.907 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 73.51 110.889 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 9.7 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.819 0.343 . . . . 72.23 111.124 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -52.58 -62.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.902 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -46.65 65.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.862 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -54.97 -56.56 18.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 75.52 111.129 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 47.2 t -54.72 -37.47 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 74.32 111.125 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.78 -59.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 74.32 111.075 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 32.4 m -60.2 -27.3 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.25 111.147 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.37 -60.61 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 75.31 111.164 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 22.8 m -60.52 -40.87 85.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 73.01 111.161 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.91 -52.5 62.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 65.34 110.888 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.47 -45.61 76.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 72.42 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 26.2 mm -58.84 -46.94 90.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 71.03 111.135 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.0 -42.54 85.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.947 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.45 -58.25 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 75.04 110.863 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.5 pt -60.03 -40.89 84.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.13 111.108 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 21.1 t -58.54 -43.16 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.51 111.149 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -36.27 80.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.882 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.99 -50.06 74.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.937 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.51 -25.89 59.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 72.32 110.856 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.05 -69.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.884 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -179.61 -34.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 75.52 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -77.3 57.92 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.885 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -55.92 169.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.933 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 5.3 t80 70.82 -69.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.876 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.46 -25.02 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -48.07 -37.99 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 75.53 111.071 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 59.3 mt -48.81 -35.83 15.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -51.65 -44.94 54.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 72.13 112.513 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.84 -49.97 36.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 75.04 110.9 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.58 -36.66 84.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 65.15 110.93 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 21.7 mt -63.87 -58.56 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 73.1 111.088 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 1.8 pp -54.89 -38.34 67.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.874 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -48.1 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 73.45 110.896 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -58.61 -47.88 82.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 74.35 110.865 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -57.95 6.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.892 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -52.05 -45.64 64.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.906 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -61.07 -64.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.864 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 88.0 t -50.18 -58.07 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.143 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.64 -44.77 47.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 73.23 111.079 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -59.36 -50.33 74.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 74.53 110.875 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 45.7 mm -54.18 -61.7 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.111 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 3.7 mp -56.4 -59.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.105 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -50.32 -28.56 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.862 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -73.76 -49.14 14.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 63.31 112.507 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -34.13 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 72.25 111.181 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 14.8 mm -71.36 -51.34 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.141 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 8.4 tt -64.32 -32.37 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 65.24 111.119 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 39.3 t -76.88 -33.58 57.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.881 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 9.4 t -76.34 -44.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 64.43 111.166 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -68.45 -37.47 80.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 74.23 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.14 -30.08 63.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 71.51 111.159 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -130.39 79.24 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.853 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.01 110.865 -179.785 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.958 0.409 . . . . 64.1 110.81 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -117.19 152.78 34.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 74.5 110.833 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.5 tpt 54.53 40.91 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 72.31 110.908 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -173.68 61.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.01 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -174.06 160.3 2.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.562 0.696 . . . . 72.04 111.129 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.18 14.94 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.658 2.239 . . . . 75.11 112.33 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 pp -159.02 -38.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.912 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.57 -35.69 20.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 70.23 110.894 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -71.65 -58.38 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.902 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -52.75 -38.13 60.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 75.03 110.854 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.34 -40.27 97.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 52.34 112.473 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.3 ttp -67.71 -39.12 84.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 74.51 110.856 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.2 -53.39 45.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 73.03 110.909 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -44.76 95.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 74.02 110.842 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -66.34 -35.86 81.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.903 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.27 -55.96 17.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 75.31 110.914 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.3 -53.18 60.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.833 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -52.49 -51.91 57.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.802 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.0 p -56.41 -50.33 71.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.859 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -59.79 -36.23 76.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 61.34 110.874 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -95.37 39.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.81 -50.88 43.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 64.12 110.864 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -58.11 -42.14 85.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.5 110.931 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.06 -35.21 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 75.35 111.118 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 mm -70.67 -58.65 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 72.05 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.5 tt -52.77 -42.98 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.099 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.98 -47.21 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 74.34 111.136 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 36.2 t -58.95 -35.78 73.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.24 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -51.79 19.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.917 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.7 t -56.16 -37.33 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.14 111.144 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.77 -52.79 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.1 111.106 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -53.44 -46.15 69.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.912 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.53 -53.63 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.859 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.86 -43.64 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.121 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.66 -49.71 61.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 72.04 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -53.25 58.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.4 110.941 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 64.7 t -59.57 -56.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 74.12 111.154 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.97 -55.28 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.25 110.916 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.11 -47.08 65.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 73.52 111.085 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.46 -34.27 75.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.935 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.9 tp -66.82 -56.77 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 61.42 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.9 pt -59.42 -34.17 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 71.13 111.146 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.31 -36.32 61.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.932 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -70.4 -36.28 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.898 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -38.68 64.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 55.34 110.911 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -32.84 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 71.53 110.905 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 37.2 mm -77.79 -28.57 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 74.01 111.119 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 19.2 mm 72.79 -61.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.1 111.156 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -142.07 158.46 61.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.637 0.732 . . . . 63.23 110.929 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 105.11 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.252 . . . . 73.21 112.385 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -122.73 38.25 4.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 44.35 110.874 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.9 -71.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 71.54 110.932 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 51.73 71.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.867 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.59 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.861 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.45 -60.46 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.921 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.61 -52.18 60.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 75.51 111.085 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.66 74.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 73.51 111.107 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -54.79 33.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.45 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 22.2 m -67.64 -30.02 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 74.2 111.172 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -67.61 -50.89 55.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.54 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -66.16 -49.08 68.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 73.13 110.87 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.05 -51.23 70.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.902 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -32.78 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.897 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.1 m -67.95 -64.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.855 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 pp -51.68 -40.81 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.14 111.144 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.4 p -60.52 -60.79 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 74.14 111.166 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 35.1 mm -57.98 -35.09 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.1 111.124 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.6 mt -61.0 -65.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 73.53 110.884 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.22 -47.6 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 73.14 111.111 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -51.85 -58.89 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.865 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -59.46 -36.33 75.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 75.42 110.875 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -59.3 5.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 73.45 110.877 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.33 -35.9 81.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 75.32 110.888 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -56.37 -48.46 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.922 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.0 mm -72.61 -53.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 75.02 111.102 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 47.1 mt -51.66 -35.64 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 71.3 111.143 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -78.24 -51.29 10.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.843 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -54.28 -36.55 63.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.03 104.52 4.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 75.32 110.881 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -99.56 167.45 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.32 110.868 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 24.6 t -110.87 -69.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 75.11 111.127 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -124.85 -71.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 75.54 110.851 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.07 93.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 74.02 110.865 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.19 111.34 1.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 54.2 -170.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.903 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -87.37 -43.22 12.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.934 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -52.69 168.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 70.45 110.855 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -101.88 142.46 33.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 75.44 110.866 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.46 -176.38 3.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.836 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -65.35 -36.21 83.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.898 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -67.6 -37.24 82.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 64.03 110.911 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -67.04 -53.07 34.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.04 110.875 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 2.8 tt -62.87 -35.61 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 65.12 111.161 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.1 tt -53.01 -48.93 67.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 75.43 110.881 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -50.9 -48.2 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 62.31 110.859 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -57.3 -56.46 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.21 111.062 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 26.4 t -55.2 -51.69 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 74.12 111.146 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 89.1 t -50.42 -50.1 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.155 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 89.7 t -61.46 -38.52 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 73.33 111.13 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.31 -50.81 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 74.1 111.088 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.06 -44.81 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.131 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 3.8 m -61.25 -53.33 58.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 63.04 110.849 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -55.93 -58.79 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.876 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 32.9 mm -51.45 -48.61 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 71.22 111.111 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 16.7 mt -58.9 -37.32 76.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 64.01 110.917 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.76 -58.37 7.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.83 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 7.9 pt -59.69 -45.3 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.35 111.148 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.69 -40.2 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 74.02 111.168 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 191' ' ' GLN . 3.6 mm? -75.72 -26.18 57.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.886 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.35 -50.29 60.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.955 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -89.63 13.48 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.884 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' GLN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -86.04 -169.39 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.3 110.905 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -101.21 87.48 3.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 61.42 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.11 110.858 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.94 161.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.942 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 11.6 t80 51.23 70.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 65.2 110.912 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 179.61 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 71.14 110.913 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -55.24 -44.56 75.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.41 111.132 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 21.8 mt -49.64 -35.65 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.958 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -50.37 -46.5 44.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 73.42 112.521 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.43 -38.56 69.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 75.42 110.898 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -47.53 68.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.92 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.59 -54.51 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 63.21 111.152 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 2.6 pp -62.83 -37.25 86.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.927 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -61.02 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.929 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 59.3 ttp85 -64.35 -32.99 74.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.878 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -67.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.944 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.0 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.909 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -71.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 74.34 110.857 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 72.2 t -50.62 -53.45 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.119 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -50.3 -48.93 54.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.23 111.104 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -57.44 -48.61 78.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 42.4 mm -54.47 -64.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 3.8 mp -55.29 -58.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 72.34 111.171 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -50.12 -28.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.898 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -74.03 -49.72 12.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 75.03 112.509 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 12.1 tt -66.81 -35.42 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 74.31 111.141 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.91 -50.86 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.166 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 13.9 tt -64.41 -31.22 52.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 72.4 111.114 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 82.7 p -76.98 -34.96 57.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.866 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 37.7 t -78.05 -43.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 74.34 111.128 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -66.49 -37.83 85.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 71.05 110.866 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.4 -30.33 63.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 61.35 111.146 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -80.01 -46.99 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.87 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.84 177.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 71.45 110.835 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -35.0 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 75.33 110.852 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.864 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.944 0.402 . . . . 74.43 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -167.26 131.34 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 74.52 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.6 mmm 53.0 68.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.41 110.859 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -173.99 65.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.61 160.42 1.04 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 63.31 111.121 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 178.49 4.48 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 70.53 112.369 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 pp -170.47 -37.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.91 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.22 -36.48 24.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.856 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -71.98 -53.17 13.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 73.14 110.902 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -39.78 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 75.44 110.896 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.73 99.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 74.24 112.511 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 17.4 ttp -65.3 -40.06 93.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 74.34 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.33 -52.57 57.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 70.34 110.915 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.0 mtt-85 -59.37 -43.97 92.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 64.51 110.884 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -35.81 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.893 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.19 -52.8 30.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 75.12 110.928 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -39.66 88.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.2 t -71.24 -58.46 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.864 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.3 t -52.04 -35.6 47.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 70.04 110.893 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -80.77 -35.36 33.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 74.5 110.839 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.77 113.97 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.846 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -49.56 -38.13 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 74.32 110.874 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -64.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 75.11 110.913 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.2 t -51.43 -31.45 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.169 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 50.5 mt -69.07 -74.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 64.44 111.163 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.3 pp -50.91 -35.59 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 75.34 111.089 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 68.4 mt -67.39 -49.22 73.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.4 111.126 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.2 -35.97 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 63.55 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -51.79 35.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 61.42 110.896 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 91.2 t -57.52 -42.44 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 72.2 111.137 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.67 -53.45 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 74.11 111.135 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.64 -53.81 54.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.35 110.923 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -56.08 -59.37 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 74.01 110.851 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.92 63.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 74.35 111.102 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.54 -56.06 24.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.953 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.27 -48.32 76.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.914 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.3 t -56.43 -55.52 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.141 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.95 -53.38 57.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 74.43 110.889 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.79 -53.21 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 74.44 111.086 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.04 -36.08 80.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 73.22 110.892 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.56 -56.18 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 74.24 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.3 pt -65.09 -34.13 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.09 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -49.85 73.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 75.33 110.928 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -74.52 -34.76 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.86 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.56 -33.51 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 64.15 110.893 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -90.19 -30.27 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.911 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.3 mp 61.21 100.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.096 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 48.0 mm -53.47 -26.3 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 75.14 111.126 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -177.43 157.65 1.26 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.549 0.69 . . . . 71.45 110.931 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 79.36 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.677 2.252 . . . . 70.03 112.338 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.12 121.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.1 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.57 -168.03 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 72.52 110.888 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 58.28 34.96 24.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 70.4 110.87 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.34 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 70.05 110.907 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -76.81 -60.47 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.968 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.94 -52.28 63.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 75.31 111.131 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.31 74.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 63.3 111.121 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -53.93 50.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.869 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.01 -48.13 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 72.41 111.135 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -57.78 -50.56 72.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 74.4 110.881 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -59.01 -51.88 68.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 71.23 110.811 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -50.63 -54.87 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 62.31 110.905 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.0 ttt -54.27 -55.44 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 73.43 110.918 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.91 -58.42 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 63.45 110.8 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 7.5 mt -54.26 -45.31 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 64.45 111.132 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 94.1 m -51.77 -53.47 39.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 73.54 111.114 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.59 -37.94 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 73.45 111.13 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 13.4 tp -59.45 -65.97 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.932 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 37.1 t -54.65 -43.71 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 72.3 111.087 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -51.7 -58.71 5.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.87 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -48.24 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 62.22 110.902 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 5.4 tpt -52.35 -54.39 32.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 72.34 110.894 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -41.02 78.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 70.04 110.897 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -59.91 -46.21 90.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.879 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.97 -62.04 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 75.33 111.1 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.58 -33.62 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 73.44 111.147 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -67.15 -57.38 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 74.03 110.854 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.21 66.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 5.7 tp -88.67 50.22 1.93 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.941 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -179.16 163.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.857 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.6 p -52.22 135.82 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 63.42 111.138 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -51.96 -74.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 73.51 110.917 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 58.68 177.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 75.01 110.86 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.75 -36.31 2.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 75.2 110.949 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.76 170.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.918 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -96.21 -36.14 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.921 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.98 155.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 74.2 110.901 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -139.86 -179.69 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 75.33 110.89 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.63 174.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -67.68 -55.31 13.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.912 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -52.89 -42.27 65.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 74.11 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -52.55 -35.9 54.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.863 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 74.3 mt -51.61 -47.47 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 75.04 111.167 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.7 -54.23 30.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.914 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -51.99 -52.07 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 61.25 110.912 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.58 -36.6 69.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 62.1 111.089 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 95.3 t -64.03 -59.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 70.24 111.1 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.58 -30.57 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.136 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 43.2 t -66.69 -57.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.14 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.47 -35.06 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 62.52 111.09 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.43 -47.25 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.5 111.122 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.3 p -65.81 -45.02 83.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 75.03 110.899 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -56.48 -59.01 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 75.43 110.85 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 8.3 tp -59.38 -35.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 73.44 111.174 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.49 -48.91 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 70.2 110.905 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.23 -56.54 20.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.876 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 19.7 pt -57.67 -33.29 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.22 111.125 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.84 -52.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 70.1 111.12 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -28.85 68.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.885 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 14.8 tp -78.67 -41.38 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -92.31 14.4 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.878 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -152.83 -179.02 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.904 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.07 -166.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.83 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -51.88 -25.51 8.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.823 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 58.89 -178.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 61.41 110.896 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 74.07 -61.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.91 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -91.29 36.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 71.23 110.923 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -101.94 -20.47 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 75.22 111.089 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 12.7 mt -45.99 -35.0 4.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.03 -41.69 29.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 62.52 112.471 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -55.31 -42.83 74.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 74.41 110.947 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 8.5 tp -66.07 -42.92 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.896 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 14.8 mm -57.25 -59.83 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 74.23 111.118 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -43.55 76.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.924 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 1.9 mp -51.55 -60.13 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 72.15 110.923 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -56.95 -45.14 83.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.839 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.72 -42.95 76.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.91 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -64.04 -58.23 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.911 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -55.76 -58.46 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.09 -58.49 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.104 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.81 -41.33 44.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 72.12 111.104 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -47.13 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 74.3 110.872 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 49.1 mm -59.06 -61.71 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.117 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 3.7 mp -53.35 -58.32 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.151 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -49.79 -38.97 36.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.868 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -65.33 -42.37 96.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 74.1 112.505 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -33.26 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 72.21 111.152 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 34.8 mm -71.11 -46.51 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.03 111.155 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 19.3 tt -67.84 -31.84 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 72.12 111.139 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 2.9 t -75.95 -34.55 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 72.51 110.84 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 41.4 t -76.41 -37.97 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 74.1 111.133 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -74.53 -37.17 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.921 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 7.2 t -73.18 -30.8 63.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.143 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -36.6 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 74.43 110.839 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.35 165.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.861 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.81 -34.99 73.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.911 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 74.44 110.882 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.909 0.385 . . . . 75.22 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -52.64 -55.63 21.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.857 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -176.48 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.88 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.15 38.53 20.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.857 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.26 160.47 1.7 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 71.32 111.065 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.17 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 71.13 112.328 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 pp -169.55 -37.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.936 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -37.32 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 75.24 110.825 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -71.85 -53.06 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.902 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -52.5 -40.18 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.876 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.47 -38.56 96.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 72.22 112.506 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.4 ttp -67.91 -39.31 83.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 73.32 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.83 -52.19 52.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 73.31 110.901 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -45.07 95.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 75.54 110.831 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -67.04 -36.13 81.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.892 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.72 -52.28 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 75.1 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -64.45 -45.63 86.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.908 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 t -58.1 -44.33 87.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 75.35 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -71.6 -38.62 70.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.877 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -65.38 -59.3 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 62.15 110.856 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.27 -75.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.869 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -52.01 -56.28 15.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.859 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -51.92 -42.57 62.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.892 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.87 -47.87 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 72.42 111.153 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.76 -35.73 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.7 mt -65.64 -61.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 75.4 111.167 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.5 tt -57.06 -35.69 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.51 111.175 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.17 -48.96 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 75.54 110.882 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.3 tp -65.27 -43.03 92.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.911 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.0 t -59.06 -55.48 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 72.51 111.145 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.66 -53.63 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.188 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.9 tp -54.24 -62.44 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 75.03 110.874 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -51.91 -41.57 62.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.898 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.75 76.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 70.42 111.1 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.15 -53.44 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 73.41 110.932 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 mt -55.29 -59.72 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.917 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.8 t -53.88 -39.71 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 72.14 111.127 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.04 -55.38 35.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.912 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.36 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.24 111.097 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -35.65 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 73.23 110.874 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.07 -54.9 26.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.0 pt -63.18 -34.2 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.153 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.49 -40.53 70.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.993 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -74.41 -35.56 63.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.13 110.885 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -70.76 -34.25 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.941 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -32.72 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.955 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.1 mp 61.23 96.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.11 111.134 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.4 mp -55.39 -28.57 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 72.21 111.157 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -146.4 119.5 5.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 73.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 89.34 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.608 2.206 . . . . 73.31 112.381 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -154.9 -168.28 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.866 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.63 140.24 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 59.28 85.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 73.51 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.34 -169.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 64.21 110.899 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -38.9 57.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.896 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.86 -52.55 59.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 61.13 111.143 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.1 -53.27 56.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 72.21 111.111 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -53.65 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.872 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 52.0 t -58.96 -52.82 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 75.11 111.127 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.02 -51.22 58.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 73.42 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -50.21 71.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 75.55 110.859 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -51.51 -47.19 63.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.955 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.3 ttt -62.19 -52.47 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 75.04 110.855 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.4 m -51.78 -54.43 28.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 70.12 110.805 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.68 -45.52 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.144 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 95.2 m -54.36 -45.75 72.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 63.3 111.131 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 42.5 mm -65.31 -44.5 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.32 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.23 -60.76 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.947 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 41.8 t -58.39 -43.72 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.25 111.137 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -51.74 -55.48 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.851 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -41.44 97.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.859 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -59.53 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.24 110.897 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 20.9 mmt -61.81 -40.38 95.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.891 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -52.19 -45.8 65.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.6 mm -72.68 -49.33 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.14 111.135 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 26.8 mt -51.8 -37.46 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.151 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -82.89 -45.88 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.856 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -52.76 54.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 63.01 110.891 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -94.84 169.6 10.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 70.14 110.902 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.15 168.63 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.906 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.2 m -99.76 -179.43 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 73.14 111.108 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -103.43 -61.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -124.85 148.09 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 74.24 110.859 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.9 mp -129.14 71.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 64.21 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.25 -177.41 5.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 72.12 110.892 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -56.43 -44.92 80.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 74.33 110.875 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -113.57 123.96 51.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 65.51 110.927 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -84.31 176.01 9.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 148.12 8.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.878 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.35 -38.89 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 75.34 110.924 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -76.83 -39.93 49.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.871 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -59.41 -53.12 61.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.857 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 8.0 tp -67.42 -35.27 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.14 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.79 -52.38 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.887 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.94 -50.76 57.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.869 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -54.9 -49.49 71.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.072 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.48 -35.29 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.53 111.156 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.12 -33.61 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 72.34 111.12 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 88.9 t -72.75 -43.31 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.34 111.132 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.43 -43.35 84.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 75.44 111.165 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 10.5 p -68.52 -37.77 78.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 74.43 111.164 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 85.0 p -71.6 -40.01 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 62.42 110.859 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.75 -53.04 53.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.45 110.87 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 11.0 tt -62.99 -41.37 92.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 74.32 111.116 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.7 tp -68.62 -29.06 67.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 72.54 110.882 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.09 -51.03 23.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 63.14 110.903 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 11.9 pt -60.86 -45.08 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 54.33 111.143 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.02 -37.82 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.128 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.15 -31.2 64.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 72.22 110.953 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.17 -48.19 58.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 75.45 110.929 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -64.17 -41.04 97.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.879 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -174.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 71.43 110.93 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -103.97 35.81 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.857 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -34.72 76.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 73.45 110.861 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? 66.47 124.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.948 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 74.51 -59.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.857 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -27.89 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.872 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -46.23 -64.54 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 64.5 111.073 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.01 -36.45 61.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.925 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.74 -45.52 39.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 75.55 112.501 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -53.38 -40.25 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 73.35 110.905 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.58 -44.61 74.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 71.24 110.902 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 13.1 mm -55.11 -57.81 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.1 111.186 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 1.2 pp -57.39 -43.98 84.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 73.42 110.925 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.99 -61.23 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.92 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -34.41 75.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 72.24 110.881 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -70.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.919 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -57.89 -31.32 66.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.863 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -74.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 73.32 110.885 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 13.8 p -51.15 -35.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.11 111.113 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -60.44 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 71.13 111.071 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -55.34 -38.33 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.2 110.874 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 33.1 mm -59.28 -69.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.15 111.146 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 3.3 mp -58.31 -59.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 64.34 111.168 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -50.56 -32.69 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.913 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.46 -45.14 55.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 70.43 112.498 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 1.7 tt -65.21 -33.79 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 75.14 111.137 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 31.8 mm -71.84 -50.69 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 71.12 111.127 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 21.4 tt -63.43 -31.91 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.169 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 5.0 t -76.7 -35.18 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.834 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 35.1 t -76.98 -42.57 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 74.31 111.123 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -68.58 -37.77 80.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 72.11 110.91 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.25 -30.39 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 74.4 111.136 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -144.27 110.53 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.867 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 2.4 t -158.95 105.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.848 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -88.27 -35.06 17.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 73.42 110.845 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 71.52 110.869 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.906 0.384 . . . . 72.22 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -91.54 -36.24 13.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.849 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.88 52.14 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 74.44 110.859 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -125.8 36.12 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 75.44 110.843 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 57.88 75.08 0.57 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.724 . . . . 74.32 111.137 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 170.86 15.56 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 72.53 112.348 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 pp -149.14 -40.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 71.04 110.966 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -89.6 -38.82 13.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.879 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -71.82 -58.43 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.874 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -39.19 61.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 75.31 110.883 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.13 99.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 33.53 112.503 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.82 -40.08 91.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 75.35 110.865 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.2 mt -64.57 -54.08 37.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.913 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -59.09 -42.39 90.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -67.54 -40.26 85.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.911 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.56 -53.92 51.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.912 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.47 -55.85 23.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 90.3 p -52.2 -36.45 52.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.826 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.7 t -69.2 -67.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.895 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -151.72 64.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.23 110.897 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -52.06 -55.68 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.858 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -50.85 -41.21 57.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.43 110.865 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.41 -49.93 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.952 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.48 -32.91 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 75.33 111.097 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 35.2 mt -66.55 -59.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 73.13 111.163 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.1 tt -56.79 -39.77 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 75.52 111.16 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.2 mt -69.21 -43.11 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 74.01 111.161 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.0 t -63.43 -35.65 81.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 53.33 110.845 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.23 -51.78 19.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 64.43 110.883 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.9 t -56.51 -44.5 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.156 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.52 -44.83 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 74.22 111.101 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.51 -55.91 24.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 75.04 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.89 -49.38 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.891 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.81 -47.95 64.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 72.1 111.095 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.07 -43.32 87.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 72.43 110.907 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.76 -59.64 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.891 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.07 -54.59 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 74.04 111.095 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.4 tp -51.91 -55.34 20.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 73.32 110.911 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.79 -45.02 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.51 111.098 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.94 -35.91 79.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -56.51 9.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.899 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.8 pt -59.0 -34.56 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.42 111.118 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -56.79 6.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.902 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -52.48 50.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.44 110.882 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.64 -33.82 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 65.12 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -54.49 -50.58 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.35 110.864 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 2.6 pt -114.54 35.66 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.105 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 16.7 mm 70.56 -70.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 72.41 111.116 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -173.17 154.55 2.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 74.41 110.903 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 104.37 1.3 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.661 2.241 . . . . 64.12 112.351 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.41 -40.57 3.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 74.04 110.873 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -36.12 47.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.951 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 51.65 86.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.873 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 179.48 -76.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.898 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -77.15 -60.55 2.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 65.04 110.954 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.52 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 74.52 111.095 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.65 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 60.24 111.148 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -54.18 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.841 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 67.1 t -51.58 -55.99 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.42 111.098 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -53.31 -50.96 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.87 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.59 -45.08 85.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.72 -49.95 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 73.02 110.908 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 2.4 mtp -61.16 -38.6 87.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.851 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.1 t -60.24 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 70.54 110.821 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 7.2 tp -58.86 -35.38 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 74.34 111.138 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 70.4 m -59.74 -56.09 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 72.23 111.174 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 74.8 mt -65.94 -34.61 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.3 111.145 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.06 -63.74 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 75.44 110.898 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.71 -49.17 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.114 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -51.92 -59.06 4.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.868 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.03 -50.67 63.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 75.45 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -49.48 62.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.88 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -42.4 90.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.895 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -60.25 -42.48 95.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.92 -61.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.24 111.14 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 25.2 pt -53.55 -32.46 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.11 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.13 -58.49 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 75.44 110.898 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -50.07 69.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 62.32 165.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.27 -0.423 . . . . 73.42 110.895 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -117.88 -45.26 2.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.851 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.7 m -65.88 -177.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.125 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -110.03 82.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.893 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -148.29 41.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 74.34 110.87 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.32 -170.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.44 110.903 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.46 43.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 70.3 110.878 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.59 -45.41 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 71.53 110.856 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -99.93 179.99 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -109.8 -179.7 3.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.885 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -122.4 179.44 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 74.2 110.887 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -41.05 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.975 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -53.24 -35.89 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.45 110.834 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -35.8 46.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 75.31 110.867 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 51.1 mm -51.63 -56.63 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 74.43 111.164 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 4.4 tt -52.27 -56.9 11.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.931 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -51.74 -51.54 55.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 70.23 110.841 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.58 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.096 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 68.5 t -72.66 -30.84 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.31 111.105 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 99.0 t -76.66 -39.26 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.54 111.128 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 29.2 m -70.44 -38.64 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 72.41 111.121 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 30.8 m -72.47 -44.25 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 72.41 111.104 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.64 -37.42 77.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 61.01 111.121 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 83.6 p -68.99 -51.58 37.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.849 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -57.86 -48.34 80.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.883 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 66.9 mt -57.4 -51.18 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 73.11 111.126 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -38.08 74.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.916 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.33 -57.37 11.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.835 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.1 pt -61.99 -40.84 88.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 73.5 111.131 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 37.8 t -55.7 -48.69 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.24 111.178 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -30.75 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 74.04 110.932 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 16.9 tp -58.74 -50.39 74.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.922 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -79.98 -23.95 41.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.848 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -45.7 -38.65 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -163.66 169.62 18.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.856 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -90.99 45.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 73.45 110.833 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.4 121.47 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.879 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.16 -34.31 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.867 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -51.77 -33.33 34.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.903 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -52.02 -47.47 64.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 70.25 111.116 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.35 -34.86 25.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 70.53 110.942 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.36 -41.76 32.61 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.763 -0.732 . . . . 71.33 112.483 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 2.6 mp -52.57 -43.69 65.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 71.21 110.882 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.35 -42.08 84.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.918 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 13.2 mm -58.18 -57.56 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.32 111.131 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 1.1 pp -58.05 -43.39 86.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 2.0 mp -51.96 -61.29 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 71.42 110.9 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -60.06 -33.22 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.841 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 23.1 tp -64.32 -46.82 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -62.88 -53.21 57.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.952 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -61.72 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 71.1 110.867 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 91.7 t -51.54 -63.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 74.44 111.106 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -47.88 -44.57 29.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.54 111.1 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -56.78 -53.08 61.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.887 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 46.7 mm -56.3 -63.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 74.13 111.151 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 3.5 mp -51.27 -59.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 65.23 111.095 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -50.64 -33.15 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 72.12 110.879 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -69.7 -45.39 58.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 75.05 112.476 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -33.91 66.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 71.45 111.131 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 34.8 mm -72.02 -53.44 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 75.23 111.136 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.13 -31.66 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 72.23 111.124 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 4.3 t -76.22 -36.1 58.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.881 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 24.2 t -73.86 -29.52 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 62.45 111.09 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -54.44 -33.69 60.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.894 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 2.9 t -72.73 -24.52 60.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 72.44 111.147 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.57 -84.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 75.54 110.824 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.44 160.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.855 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -107.03 -34.83 7.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 75.42 110.901 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.864 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.865 0.364 . . . . 73.44 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -110.96 85.01 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 64.31 110.846 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -107.66 155.04 20.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.862 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.49 48.42 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.856 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 58.34 75.4 0.53 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 64.34 111.093 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 174.28 9.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 74.44 112.33 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 pp -158.33 -38.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.919 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.95 -35.37 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 64.2 110.849 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -71.63 -58.39 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.904 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.0 -37.06 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.865 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.16 96.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 71.22 112.52 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.4 ttp -65.27 -38.9 91.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 72.54 110.867 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.37 -54.45 28.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.927 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -59.83 -41.75 92.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 75.41 110.918 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -68.12 -36.23 79.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 74.33 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.72 -54.83 25.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.952 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -47.01 86.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.54 110.918 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 t -60.43 -38.42 84.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.871 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.6 t -66.01 -57.42 7.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 65.14 110.875 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.52 -37.9 76.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.3 110.912 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -68.86 -36.22 77.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.912 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -57.38 9.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.866 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -51.78 -40.38 60.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.897 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.67 -47.18 94.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 71.23 111.128 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.2 mt -60.65 -56.53 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.11 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.8 mt -51.8 -56.77 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 65.03 111.128 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 51.8 mt -58.18 -39.88 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 73.34 111.151 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.6 t -65.01 -33.74 76.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 62.05 110.863 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.2 tt -71.34 -52.33 19.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.904 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.5 m -60.19 -39.23 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.41 111.091 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 71.5 t -72.64 -45.44 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 74.04 111.131 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 -49.91 72.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.933 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.48 -48.48 64.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.864 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.03 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 73.02 111.117 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.73 -40.83 75.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 75.42 110.89 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -58.29 -55.48 34.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.949 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.53 -53.37 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 64.5 111.112 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.1 tp -51.82 -55.31 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.55 -48.92 76.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.1 111.092 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -35.72 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 70.35 110.868 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.98 -56.64 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.882 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.8 pt -60.03 -33.99 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.3 111.136 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.25 -51.04 41.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.909 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -57.87 -44.52 86.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.86 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.82 -35.87 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -54.76 -35.7 64.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.935 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.43 -75.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 73.45 111.148 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 40.8 mt -137.2 -41.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 64.44 111.147 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -175.56 158.85 2.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.727 . . . . 75.44 110.894 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 75.1 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 75.34 112.34 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.29 88.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 54.31 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -70.9 -74.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 73.3 110.905 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 51.28 62.71 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 73.14 110.861 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 179.58 -165.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.886 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -46.49 -47.25 19.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.51 110.951 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.76 -41.99 71.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 72.55 111.093 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.76 -50.56 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 75.03 111.122 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.5 ttp -51.79 -53.92 34.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.876 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.76 -45.18 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 63.22 111.14 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.33 -48.64 78.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.914 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -61.89 -50.72 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 74.1 110.877 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -46.32 64.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.938 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.9 ttp -65.04 -42.18 94.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.43 110.85 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 t -60.8 -50.86 71.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 71.43 110.912 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.3 mm -60.45 -52.38 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 74.3 111.091 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 62.6 m -51.54 -51.86 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.115 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 42.9 mt -63.2 -34.99 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 75.54 111.142 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -62.49 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.873 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.05 -35.42 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 61.33 111.138 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -64.09 -51.2 65.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.828 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.37 -46.23 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 75.14 110.868 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -59.64 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.881 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -36.15 68.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.7 -53.54 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.834 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.57 -55.37 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 73.43 111.122 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 44.2 mm -53.0 -38.69 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.183 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -70.6 -55.46 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.916 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -52.15 -41.41 62.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.902 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -36.64 61.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 60.23 110.914 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 11.8 t80 58.24 87.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 64.43 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.4 p -143.73 131.26 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 72.01 111.115 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.92 -171.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.858 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.44 157.46 30.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 74.32 110.896 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 8.6 mt -127.0 77.04 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.865 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -63.6 -177.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 72.24 110.875 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -58.44 -40.71 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 73.44 110.876 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.02 136.72 46.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 74.33 110.881 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -114.89 147.45 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 74.04 110.887 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -71.98 160.33 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 72.15 110.857 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -60.54 -38.51 84.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 70.55 110.857 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -43.34 82.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.22 110.861 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -53.01 -36.1 60.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 74.21 110.891 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 31.7 mm -79.27 -35.56 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 73.01 111.126 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 4.3 tt -52.99 -57.25 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.916 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -49.79 -45.5 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 73.41 110.864 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -51.81 -56.35 14.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 73.13 111.114 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.29 -41.01 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.125 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.04 -64.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 64.11 111.111 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 31.2 m -54.39 -33.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 73.02 111.127 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 41.7 t -66.17 -44.4 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.104 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.04 -44.78 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 63.35 111.117 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 70.8 m -61.88 -53.14 59.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 61.44 110.882 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -56.46 -58.96 5.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 73.01 110.884 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 78.5 mt -52.73 -50.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.51 111.111 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.14 -35.29 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.932 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.29 -57.78 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.851 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.0 pt -61.5 -40.02 84.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 75.2 111.156 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.27 -54.78 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 75.23 111.151 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.74 -33.96 74.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 75.21 110.931 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -46.92 86.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 62.44 110.884 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -91.4 13.46 17.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.932 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -110.61 -74.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 75.14 110.892 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -26.3 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 62.21 110.891 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 1.4 t60 64.81 34.56 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.844 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -119.12 175.5 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.877 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -54.46 -25.76 27.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.35 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -46.39 -35.98 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.902 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.47 67.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 73.51 111.079 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.56 -35.21 73.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.889 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -48.16 -37.1 16.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 52.35 112.465 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.0 -44.65 97.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 75.01 110.919 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -35.9 82.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.926 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 10.1 mm -64.78 -58.84 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 71.12 111.135 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.61 -35.52 65.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.885 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.72 -54.75 26.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.909 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -58.49 -39.71 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.909 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.29 -35.84 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.883 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.62 -51.87 20.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.889 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -46.9 88.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 73.05 110.863 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' VAL . . . . . 0.404 ' O ' ' HB ' ' A' ' 213' ' ' ILE . 6.0 p -64.9 -36.98 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.117 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -61.5 -56.96 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.3 111.124 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -63.65 -51.88 63.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.901 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 19.5 mm -51.23 -68.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 75.13 111.12 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' A' ' 209' ' ' VAL . 1.7 mp -49.73 -39.79 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.41 111.151 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -63.82 -37.03 85.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 63.34 110.896 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.05 -44.94 59.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 74.15 112.498 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 5.9 tt -68.5 -36.01 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 75.23 111.129 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.84 -47.96 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 71.32 111.118 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 10.7 tt -66.47 -33.67 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 64.04 111.136 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.2 p -77.1 -32.29 56.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 19.9 t -78.83 -39.33 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 72.32 111.106 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -72.14 -35.97 69.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.901 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 10.3 t -72.48 -29.69 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.22 111.167 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.02 28.39 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 73.11 110.85 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.3 t -143.88 -170.07 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.887 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -34.52 60.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.871 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.86 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.0 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.919 0.39 . . . . 73.41 110.836 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -65.85 170.14 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.8 mmt -108.17 -74.23 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.909 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.09 46.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.15 110.881 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 63.67 160.45 0.12 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 74.11 111.116 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 172.15 13.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 73.11 112.314 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 pp -147.72 -40.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 53.22 110.943 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.27 -38.93 13.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 50.31 110.852 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -71.81 -58.35 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.906 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -40.16 62.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.15 110.856 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.63 -39.98 98.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.664 -0.779 . . . . 75.34 112.475 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.5 ttm -67.12 -39.92 86.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 72.35 110.859 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.09 -53.03 56.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.939 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -60.39 -45.1 94.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.869 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -65.75 -35.8 81.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.902 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mt -64.61 -57.57 8.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 65.32 110.932 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -58.65 -50.61 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.5 t -56.94 -43.14 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 72.25 110.887 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 m -61.4 -47.13 87.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 75.31 110.876 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -65.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.869 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 72.26 -68.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.832 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -52.2 -60.98 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.938 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -51.94 -46.47 64.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.972 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.9 t -52.74 -47.91 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 72.4 111.176 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 53.2 mt -63.39 -44.27 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 74.34 111.137 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.01 -63.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 74.43 111.167 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.1 tt -58.24 -35.56 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.03 111.115 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 38.2 t -56.68 -57.15 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 65.35 110.875 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.3 tp -62.7 -48.54 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 73.43 110.936 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 88.8 t -52.23 -56.4 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.33 111.128 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.73 -38.63 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.34 111.082 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.83 -52.43 65.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.918 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.67 -55.29 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.896 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.85 -49.99 67.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 55.51 111.081 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.08 -35.63 80.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 73.22 110.938 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.27 -59.65 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 75.01 110.915 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.7 p -59.98 -38.76 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 54.24 111.139 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.67 -55.4 23.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.04 110.973 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.28 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.124 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -51.55 68.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.847 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 -56.63 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 75.43 110.912 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -29.48 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 72.43 111.149 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.6 mt -69.47 -56.92 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 74.23 110.907 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.32 -36.0 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.858 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.22 -30.8 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.23 110.908 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.43 -35.39 65.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.937 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.04 45.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.22 111.156 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.3 mt -50.1 -34.21 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 74.34 111.122 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -53.12 153.56 6.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 72.11 110.922 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -171.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.274 . . . . 75.12 112.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.24 -43.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 63.04 110.877 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt 61.75 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.99 91.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.929 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.84 -174.24 4.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.955 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -35.71 73.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.928 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.69 -53.9 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 52.32 111.095 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.78 -34.59 77.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 63.13 111.155 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.81 -52.7 59.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.867 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.3 -32.42 57.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 74.33 111.127 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -51.4 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.909 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -42.85 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 71.4 110.853 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.39 -44.81 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.909 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.43 -36.53 81.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.858 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 12.1 t -66.46 -56.98 8.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.858 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.6 pp -61.93 -34.71 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 74.11 111.133 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.9 m -65.65 -65.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.25 111.177 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.4 tp -55.57 -33.47 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.112 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.43 -64.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.91 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.88 -45.85 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 71.11 111.121 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.32 -53.41 51.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 74.24 110.884 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -58.37 -55.43 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 73.43 110.845 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 32.7 tpp -51.93 -58.45 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.855 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -39.95 60.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.885 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -61.39 -49.23 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 73.45 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.1 mm -59.83 -59.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 71.52 111.139 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 18.8 tt -54.68 -34.54 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 70.12 111.097 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.59 -58.81 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.41 110.908 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -38.37 69.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 73.52 110.88 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.93 118.26 16.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.55 110.915 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -74.68 175.03 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 75.1 110.903 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 10.1 m -152.29 45.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 64.23 111.142 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -56.97 161.52 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.3 110.884 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -119.66 -68.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 75.11 110.859 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.8 tt -178.63 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.942 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.13 118.55 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.934 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -37.02 55.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 73.42 110.858 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -104.4 -70.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.5 110.873 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -178.6 170.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 74.31 110.854 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -123.97 149.34 46.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.873 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -35.98 63.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 74.45 110.883 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -52.19 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 73.34 110.838 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -51.11 24.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.891 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 57.4 mt -51.94 -35.19 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 74.22 111.152 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.06 -48.73 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 74.24 110.927 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -50.39 -52.2 39.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 71.43 110.85 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.3 -53.37 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.09 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.32 -57.28 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 75.42 111.086 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 99.0 t -50.69 -37.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 74.03 111.164 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.23 -63.46 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 63.4 111.143 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.65 -39.25 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.16 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.89 -46.88 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 72.1 111.174 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -41.46 79.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.853 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -55.34 -60.49 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.885 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 3.5 tt -60.0 -45.32 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 74.31 111.09 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 34.0 tp -58.61 -39.22 79.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.15 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.93 -56.8 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.847 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.9 pt -61.07 -40.0 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 75.43 111.151 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.4 -54.04 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.23 111.11 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -30.59 70.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 74.5 110.887 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.04 -49.71 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.935 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -80.75 -37.51 30.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.918 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -51.87 106.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.958 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 59.3 172.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 73.25 110.849 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -88.87 48.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 61.32 110.826 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -94.56 89.35 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.6 -30.58 21.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.51 110.851 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -50.01 -31.24 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.846 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -48.8 -32.94 9.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 62.04 111.089 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 1.5 mp -48.29 -34.68 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 72.03 110.914 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -50.05 -36.54 28.09 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.761 -0.733 . . . . 74.32 112.5 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.23 -44.65 83.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 75.31 110.961 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.99 -44.02 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.52 110.924 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 7.8 mt -55.07 -58.26 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 73.3 111.153 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.68 -42.28 88.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.41 110.901 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -60.63 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.951 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -63.0 -32.0 73.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 75.21 110.825 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 7.3 tt -56.6 -68.03 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 71.33 110.919 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -63.13 -33.07 74.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.916 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -62.45 -68.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.866 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 8.4 p -56.6 -34.68 42.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 70.24 111.153 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -67.32 -36.4 81.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 74.31 111.108 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -55.08 10.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.88 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 5.4 tp -56.54 -44.98 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.3 111.116 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 217' ' ' ILE . 78.0 mt -64.11 -60.29 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.22 111.169 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -51.94 -29.71 21.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.53 110.909 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.72 -54.32 10.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 74.05 112.496 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 12.0 tt -59.55 -33.86 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 74.44 111.116 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 213' ' ' ILE . 7.8 mm -68.58 -57.46 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.22 111.136 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 29.4 pt -59.87 -29.53 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 74.44 111.17 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 58.3 m -76.49 -35.78 58.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 75.02 110.873 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 42.4 t -77.45 -38.31 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 62.25 111.105 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -71.69 -36.81 70.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.52 110.899 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 9.9 t -72.78 -29.6 63.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.12 111.123 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 29.08 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.866 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 7.7 t -142.64 -169.94 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.826 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -35.08 75.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 64.32 110.878 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 73.12 110.878 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.897 0.379 . . . . 64.41 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -117.31 56.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 72.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -131.34 -176.54 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.911 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -121.74 36.4 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.873 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 63.47 160.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 74.25 111.102 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 156.25 63.81 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.635 2.223 . . . . 70.43 112.389 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.4 mt -128.9 -67.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.925 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.11 -33.58 70.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 71.14 110.855 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -71.73 -58.95 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 75.12 110.89 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -25.36 66.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.877 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.91 -43.95 39.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 54.5 112.498 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 57.4 ttp -70.25 -38.86 75.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 73.44 110.832 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.07 -50.14 51.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 74.33 110.899 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -62.9 -44.72 95.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 73.3 110.878 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -38.74 89.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.4 110.898 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.67 -61.06 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.895 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -55.6 -48.28 75.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.2 110.891 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 t -59.47 -50.71 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 74.42 110.865 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.3 t -52.51 -52.61 53.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 70.14 110.832 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -67.47 -72.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 75.52 110.873 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 69.05 -75.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.904 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -62.16 -55.92 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -51.92 -45.77 64.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 72.34 110.933 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 64.7 t -59.73 -51.93 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 75.12 111.138 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.2 mt -57.94 -45.64 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 63.5 111.172 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.7 mt -58.24 -64.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 71.12 111.132 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.2 mm -51.61 -55.91 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 74.51 111.107 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.2 m -51.94 -45.65 64.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.87 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.47 -40.74 97.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.962 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.34 -56.43 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 73.25 111.121 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.45 -37.32 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 72.02 111.166 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.4 mt -65.05 -64.35 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.908 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -53.26 -45.96 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.826 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.21 75.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 61.11 111.078 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.9 -49.89 75.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.948 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.01 -59.77 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.867 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 66.8 t -52.68 -56.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 72.24 111.137 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.9 tp -54.16 -51.04 65.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.952 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.75 -52.71 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 73.31 111.093 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -63.42 -35.33 80.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 70.03 110.904 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.5 tp -63.82 -56.33 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.898 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 pt -63.05 -33.18 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.22 111.147 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -56.79 13.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 70.13 110.924 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.98 -34.98 77.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 72.43 110.845 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.16 -32.5 71.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 65.32 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -86.13 -32.94 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 64.3 110.869 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.1 mp 61.31 95.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.13 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 36.8 mm -68.1 -29.28 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 72.24 111.136 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -149.66 152.85 35.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 74.4 110.923 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 79.06 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.678 2.252 . . . . 74.44 112.335 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -175.62 122.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.866 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -149.42 -169.22 3.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.953 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 51.43 43.61 29.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 71.21 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.88 -75.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 70.14 110.898 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -76.39 -60.49 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 70.33 110.961 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.38 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 74.13 111.08 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.25 71.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.15 111.043 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -54.18 49.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 71.43 110.85 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 70.3 t -50.41 -56.19 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.115 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -56.98 -38.8 73.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -64.16 -53.88 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 75.51 110.86 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -55.49 -39.71 70.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.929 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.7 ttt -68.38 -37.86 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.25 110.906 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.4 t -69.37 -46.77 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.832 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 8.0 tp -65.79 -34.7 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 75.54 111.156 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 11.7 p -68.43 -52.94 27.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.22 111.123 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.18 -34.24 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.2 111.129 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 11.8 mt -67.39 -59.96 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.916 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.69 -40.27 81.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.11 111.149 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -60.05 -52.43 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.928 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -57.46 -55.52 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.32 110.894 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.35 -55.33 32.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 65.41 110.877 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 1.1 mmt -52.06 -41.95 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 63.45 110.861 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.13 -50.67 72.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.5 mm -56.59 -59.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.41 111.09 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.52 -34.9 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 65.51 111.139 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.03 -62.66 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.51 110.889 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -177.04 51.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 75.45 110.941 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.3 33.39 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 73.5 110.864 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -132.41 -169.61 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 65.01 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.46 146.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 71.22 111.148 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 63.39 165.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.875 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.01 71.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 75.33 110.891 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.8 mt -148.16 119.56 7.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.903 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -53.47 111.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 64.2 110.867 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -40.27 61.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 73.25 110.864 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.2 -170.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.88 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -59.29 135.79 57.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 73.35 110.852 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.68 161.29 40.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.85 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -54.66 -47.36 73.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.15 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -78.11 -36.0 48.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 74.52 110.906 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -57.74 -55.79 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.818 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -35.24 66.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.41 111.159 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.66 -42.74 89.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.1 110.895 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -50.58 -51.02 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.894 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -55.68 -56.23 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 71.31 111.094 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 42.0 t -53.18 -52.61 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.11 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 93.4 t -50.95 -47.57 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.42 111.087 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 99.6 t -64.09 -34.0 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.157 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.87 -47.36 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.34 111.128 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.57 -41.35 85.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 65.5 111.182 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 5.4 p -68.15 -48.27 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.846 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -61.13 -50.1 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.891 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.1 -46.84 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.21 111.195 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.7 -39.96 74.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.884 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -65.0 -57.44 8.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 71.32 110.842 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 25.8 pt -59.72 -36.6 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.1 111.161 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.37 -54.46 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 74.53 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -28.76 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.951 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 18.1 tp -66.19 -49.8 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.12 110.87 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -77.38 -34.89 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.85 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -90.1 -166.62 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 74.55 110.924 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 68.22 -80.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 75.12 110.917 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.67 34.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 73.13 110.877 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 58.16 174.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.914 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 2.9 t80 59.44 171.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 74.35 110.81 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 51.06 35.01 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 74.45 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -113.31 -33.72 5.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 61.53 111.115 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -35.75 17.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.943 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -50.01 -50.51 32.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 73.33 112.507 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.77 -43.19 62.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 72.4 110.938 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.27 -41.8 99.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.54 110.943 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.79 -62.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 75.1 111.194 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . 0.4 ' CD1' HD13 ' A' ' 204' ' ' LEU . 0.3 OUTLIER -52.23 -37.68 55.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 70.21 110.931 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' A' ' 203' ' ' LEU . 3.2 mp -59.57 -56.95 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -61.43 -37.67 84.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.881 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 26.2 mt -58.62 -47.48 84.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 70.4 110.916 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -64.17 -53.1 54.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.897 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -58.13 -61.6 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.891 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 82.9 t -49.09 -56.32 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 72.33 111.11 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.45 -54.69 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 73.1 111.089 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -55.8 -46.41 78.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.869 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 18.2 mt -54.56 -69.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 73.53 111.169 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 4.0 mp -52.83 -58.78 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 72.22 111.13 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -50.09 -28.79 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.831 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -74.28 -48.93 13.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 62.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 12.4 tt -67.58 -34.51 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 75.15 111.104 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 13.7 mm -72.34 -49.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 73.22 111.104 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 7.6 tt -64.33 -32.82 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 70.33 111.136 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 8.9 t -77.57 -35.15 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 74.33 110.829 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 18.6 t -77.14 -36.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.12 111.114 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -76.14 -36.46 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.54 110.938 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 7.2 t -73.18 -30.93 63.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 74.32 111.13 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -102.57 -74.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.51 110.907 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.4 p 52.86 -171.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.886 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -110.39 -34.71 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.55 110.879 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.876 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.0 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.932 0.396 . . . . 75.22 110.843 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -129.17 -74.02 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 74.2 110.852 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.0 88.19 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.864 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -177.86 66.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 73.45 110.845 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.79 160.45 79.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 75.2 111.113 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 174.36 9.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.638 2.226 . . . . 74.22 112.332 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 pp -158.88 -38.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.935 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.63 -35.83 20.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.819 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -71.84 -58.4 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 65.4 110.913 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -36.73 61.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 72.44 110.85 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.34 -43.68 94.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 62.21 112.488 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -64.81 -38.88 92.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 73.43 110.9 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.2 mt -65.53 -53.79 37.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.14 110.909 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -58.97 -41.9 88.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.21 110.853 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -66.48 -37.66 85.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.953 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.39 -52.71 56.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.42 110.89 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.97 -38.23 90.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.828 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.4 m -61.38 -53.29 58.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.84 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -57.76 10.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 70.52 110.841 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -53.76 -36.17 62.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 75.43 110.839 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.1 mtt85 63.11 104.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.875 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -51.9 -49.49 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 63.53 110.926 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -57.58 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 73.52 110.934 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.63 -47.94 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 72.21 111.122 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.1 mt -56.81 -46.93 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 74.31 111.151 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.4 mt -59.18 -63.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.01 111.088 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.3 pt -53.58 -33.38 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 72.35 111.136 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.83 -57.78 9.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.852 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.6 tp -61.34 -45.1 95.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.918 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 97.4 t -53.48 -55.73 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 74.41 111.087 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 99.6 t -61.8 -49.89 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 71.25 111.099 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.07 -57.81 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 71.52 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.72 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 73.1 110.897 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.14 -52.91 60.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 64.51 111.134 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.59 -32.34 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 64.25 110.925 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -56.19 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.889 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.6 t -62.15 -44.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 64.05 111.151 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.38 -54.2 46.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.126 -0.488 . . . . 70.44 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.91 -53.27 55.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 65.44 111.103 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.71 -36.05 79.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.874 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -56.56 20.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 75.35 110.882 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.7 pt -64.76 -34.12 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.121 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -53.88 53.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.946 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -74.47 -36.09 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.856 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.97 -35.89 71.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 75.2 110.946 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -50.93 43.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.926 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.435 ' O ' ' CG2' ' A' ' 126' ' ' ILE . 6.6 tp -100.77 83.37 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 73.02 111.158 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 50.3 mm -66.97 -16.52 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 74.03 111.167 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 69.0 153.68 0.14 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 72.21 110.922 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -33.19 17.06 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.264 . . . . 72.54 112.346 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -158.27 -168.15 2.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.868 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.59 -167.89 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.55 110.93 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 51.64 79.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.05 110.86 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.38 -169.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.893 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -36.03 43.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.52 110.985 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.33 -52.17 55.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 74.42 111.125 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.11 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 72.01 111.115 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.59 -54.24 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.886 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.26 -56.13 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 62.43 111.131 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -52.63 -50.91 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.902 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -56.75 -53.13 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 55.21 110.838 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.38 -41.9 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 73.54 110.923 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -37.6 85.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 74.24 110.914 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -49.99 52.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.886 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 8.0 tp -62.68 -35.92 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.43 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 13.9 p -67.41 -55.05 15.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.41 111.107 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 32.1 mm -58.15 -39.87 74.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 75.54 111.122 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 26.4 tp -63.86 -56.76 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 74.03 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.7 -54.87 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.128 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -51.72 -54.29 29.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 72.1 110.828 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -54.17 -43.94 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.842 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -56.64 18.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 71.11 110.848 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -42.43 70.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.91 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -58.35 -61.38 2.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.838 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.0 mm -51.58 -60.2 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 74.45 111.128 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 43.7 mm -51.32 -44.33 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.01 111.158 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -54.36 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.55 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 46.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.898 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 2.4 mp 51.95 36.19 17.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.913 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -163.87 172.31 14.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.897 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 38.3 t -52.67 148.1 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 65.43 111.151 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -108.97 107.77 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.33 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.86 117.42 3.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.909 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.4 tt -53.59 103.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 75.03 110.874 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -122.33 137.25 54.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.892 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -53.06 -36.21 60.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.31 110.843 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -55.39 171.73 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 74.24 110.852 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -179.19 151.0 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 65.21 110.873 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -92.18 169.58 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 64.11 110.814 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -55.82 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 64.43 110.886 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -52.97 -42.66 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.12 -35.81 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.859 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 51.3 mm -51.45 -47.32 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.24 111.117 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.9 -53.49 54.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 73.53 110.949 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -47.65 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.841 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.91 -56.85 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.166 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 22.1 t -57.02 -39.71 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.135 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 97.3 t -56.87 -64.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 72.21 111.139 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 31.6 m -55.47 -33.43 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 64.03 111.128 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 41.9 t -66.1 -59.93 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.159 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 60.5 t -54.62 -34.23 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 71.24 111.103 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 19.7 m -68.2 -51.28 47.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 64.44 110.852 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -55.36 -51.62 66.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 71.11 110.868 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.32 -40.63 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 71.32 111.105 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.45 -53.04 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.933 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.73 -56.72 17.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.11 110.852 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 18.4 pt -59.49 -34.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.34 111.121 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.84 -53.18 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 71.45 111.136 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.68 -32.95 74.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.904 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.42 -50.25 74.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.884 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -70.91 -35.13 72.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.89 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -61.61 -165.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 73.52 110.916 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -92.42 25.96 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.893 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -95.9 44.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 74.51 110.865 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -45.14 131.63 7.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.946 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 7.6 t80 63.66 35.5 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.44 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.66 30.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.905 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -118.72 -48.33 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 73.12 111.071 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 15.0 mt -51.2 -34.76 33.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.899 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -48.83 -44.95 31.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 44.4 112.534 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.37 -45.09 45.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 73.41 110.948 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 9.6 tp -67.51 -43.18 81.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 63.12 110.942 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 14.9 mm -56.66 -58.28 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.118 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -45.55 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 63.31 110.909 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.6 -60.71 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 71.45 110.923 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -34.29 75.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.897 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 26.0 tp -55.94 -70.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 -59.31 -32.56 70.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.885 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -61.41 -75.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 74.31 110.834 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 19.5 m -51.9 -33.05 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 74.42 111.113 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -59.84 -69.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 74.23 111.086 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -41.6 59.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.888 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 31.5 mm -60.15 -74.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 71.13 111.12 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 4.4 mt -50.43 -59.46 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 71.32 111.115 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -50.6 -36.8 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.1 110.91 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -65.28 -42.95 95.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.796 -0.716 . . . . 72.13 112.457 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.79 -32.98 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 75.24 111.102 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 36.7 mm -71.56 -41.22 72.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 74.43 111.14 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . 0.415 ' HA ' ' HG2' ' A' ' 221' ' ' LYS . 19.9 tt -74.25 -27.93 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.119 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 28.4 t -77.13 -35.84 55.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.863 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 35.8 m -78.57 -39.46 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 61.22 111.1 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 218' ' ' ILE . 6.9 ptpt -69.83 -36.72 75.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 74.54 110.901 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 7.5 t -74.32 -30.94 62.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 70.44 111.168 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.48 135.15 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.832 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.1 t 179.41 157.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.859 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -82.93 -35.03 26.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 53.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.826 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.954 0.406 . . . . 72.33 110.8 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -119.17 61.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 73.42 110.86 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.24 -49.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 75.33 110.886 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.42 46.25 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.87 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.25 160.4 39.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.555 0.693 . . . . 64.14 111.087 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 136.86 34.2 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 64.44 112.373 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 mt -121.45 -69.94 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 63.12 110.915 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.44 -45.42 76.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.858 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -56.19 -48.0 77.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.845 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.403 ' HA ' ' CD2' ' A' ' 92' ' ' LEU . 6.7 mpt_? -59.21 -29.55 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.864 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.25 -51.2 7.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 65.3 112.498 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.6 ptm -57.47 -42.57 82.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 74.41 110.861 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 89' ' ' ARG . 4.7 pp -74.16 -35.73 64.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 74.41 110.889 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -47.16 86.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.832 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -34.32 57.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.23 -50.26 73.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.06 -49.18 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.892 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.0 t -52.3 -36.17 52.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.855 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -86.82 -35.73 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 61.21 110.852 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -56.85 -63.3 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.895 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -163.39 68.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -54.6 -45.74 73.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.878 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -55.9 -56.14 24.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 72.24 110.935 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.5 t -52.03 -46.9 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 65.22 111.139 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 33.1 mt -55.59 -60.84 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.34 111.21 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.9 mm -53.01 -59.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.05 111.164 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.6 mm -51.5 -36.37 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 73.21 111.157 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 3.6 m -69.89 -34.35 73.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 75.4 110.859 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.65 -48.01 50.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 70.13 110.935 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.5 m -63.36 -42.94 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 73.33 111.118 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.29 -33.5 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.44 111.142 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.6 mt -66.22 -55.75 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.926 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.57 -41.31 98.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.87 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.38 89.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 65.21 111.112 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.74 -47.08 82.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.25 110.93 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.83 -59.77 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.932 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 85.2 t -52.57 -56.02 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 70.4 111.149 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.2 tt -53.82 -47.33 70.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.932 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.2 -47.51 68.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 63.12 111.123 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -62.77 -43.6 98.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.72 -56.62 18.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 73.3 110.942 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.3 pt -63.1 -33.48 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.55 111.111 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.31 -54.66 44.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.921 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -66.75 -47.72 71.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.24 110.881 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.2 mp -57.52 -31.32 65.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.51 110.943 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -50.64 43.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.862 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 3.1 mp -132.93 95.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.197 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.99 -14.1 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.02 111.113 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -60.05 153.75 54.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 74.34 110.89 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 78.82 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.688 2.259 . . . . 72.33 112.326 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -129.69 61.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.876 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -140.12 -165.72 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.938 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 65.06 35.17 8.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.877 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 179.31 -80.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -78.24 -60.96 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 61.22 110.94 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.94 -52.15 66.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 72.21 111.094 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -54.88 -44.36 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.51 111.075 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -53.49 57.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.885 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.31 -56.34 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 75.33 111.102 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -51.95 -51.46 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 73.43 110.865 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -62.83 -48.27 79.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.874 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -51.82 -54.32 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 74.43 110.914 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.1 ttp -62.08 -38.71 89.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 74.52 110.881 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.9 t -63.87 -67.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 74.21 110.849 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.5 pp -50.84 -36.45 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 75.31 111.143 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 11.2 m -60.8 -55.77 29.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 65.11 111.135 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 39.2 mm -65.56 -48.59 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.02 111.137 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.1 tp -54.68 -59.9 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.945 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.07 -37.67 69.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 73.5 111.131 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -54.9 -62.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.939 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.7 -42.06 87.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 75.13 110.88 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -59.46 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.901 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 2.2 ttt -57.45 -37.13 72.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 71.52 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -52.48 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.12 110.874 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 49.7 mm -64.19 -56.55 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 73.15 111.106 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 80.9 mt -51.77 -60.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 72.42 111.154 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -51.96 -49.76 62.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.888 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -51.82 -42.22 62.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 73.35 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 34.4 mt -91.91 75.19 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.952 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -57.34 151.7 15.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.856 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.2 168.94 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 71.43 111.121 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.58 123.83 12.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 74.31 110.862 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -39.43 93.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.849 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.71 84.77 3.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.967 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.1 156.77 47.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.846 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -55.73 -47.1 77.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.851 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -150.26 162.45 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.889 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -53.51 137.72 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -53.81 131.8 40.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.815 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -36.45 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.895 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -58.39 -47.02 85.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.894 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.24 -55.69 22.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 51.4 mm -63.03 -37.15 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.55 111.149 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.8 tt -57.07 -51.82 67.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.89 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.65 -51.56 47.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.859 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -51.85 -54.15 32.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.43 111.086 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 92.7 t -60.1 -39.18 79.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.11 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 91.5 t -66.68 -34.41 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.52 111.135 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.36 -52.75 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 73.41 111.13 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.14 -44.84 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 70.31 111.116 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.62 -33.04 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 63.55 111.127 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -53.64 46.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.85 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -62.78 -49.13 76.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 73.42 110.855 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 88.3 mt -57.76 -55.88 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 73.42 111.126 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 52.8 mt -57.32 -35.38 69.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.887 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.02 -56.98 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 52.11 110.835 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 14.1 pt -65.92 -41.57 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 64.24 111.154 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.5 -53.94 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 75.11 111.124 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -32.07 70.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.918 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.33 -50.79 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 65.34 110.926 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -81.02 -25.38 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.899 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -49.46 -71.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 73.32 110.887 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -85.59 -28.87 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.85 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.24 32.22 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.02 110.853 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -178.36 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.873 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -52.03 -26.91 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.54 110.855 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.29 -34.42 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 74.51 110.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -51.05 -54.47 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 63.12 111.087 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 4.3 mp -51.13 -40.16 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -51.48 -48.71 48.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 74.33 112.528 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 3.4 mt -51.02 -41.26 59.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 73.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -48.15 68.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.928 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.58 -59.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.34 111.141 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 1.2 pp -56.62 -44.41 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 63.24 110.891 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 1.6 mp -50.98 -61.04 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 62.11 110.938 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -35.44 72.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.25 110.916 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.2 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.15 110.966 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 29.1 m0 -61.22 -46.88 88.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.42 110.951 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -68.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.886 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 17.0 m -51.33 -32.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 54.22 111.126 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -60.08 -68.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 72.24 111.079 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -51.38 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.914 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 42.6 mm -52.87 -69.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.41 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 49.1 mt -50.15 -59.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.121 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -49.69 -29.16 6.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.03 110.888 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -73.83 -49.87 12.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 75.32 112.476 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 12.2 tt -66.92 -35.4 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 73.31 111.102 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 12.0 mm -70.52 -51.57 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.14 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 13.8 tt -64.1 -31.0 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 71.43 111.12 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 25.7 t -76.85 -34.99 57.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.861 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 38.0 t -77.96 -44.11 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 74.45 111.129 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -66.32 -37.86 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 71.5 110.888 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.1 t -73.36 -30.4 63.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 71.54 111.164 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -125.53 90.12 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.901 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 30.5 t -170.56 -73.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 75.11 110.887 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -80.13 -34.84 37.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.899 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 75.23 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.924 0.392 . . . . 45.01 110.811 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -158.99 67.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.897 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.36 -177.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.889 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.85 -75.83 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.9 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 52.22 75.05 0.69 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 64.52 111.111 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 157.27 60.91 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.651 2.234 . . . . 73.51 112.356 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.1 mt -150.49 -69.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 73.32 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -51.44 -37.56 49.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.0 110.867 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -70.98 -53.99 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.842 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -51.72 -37.81 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 75.35 110.89 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.21 -42.57 97.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 73.33 112.503 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.5 ttm -66.51 -38.21 86.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 73.14 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.42 -53.35 44.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 72.25 110.898 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -45.84 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.2 110.864 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -64.94 -35.82 82.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.68 -59.95 3.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 75.41 110.913 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.71 -51.16 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.863 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.6 m -53.27 -54.88 29.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 70.31 110.855 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.2 m -54.85 -46.51 74.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.837 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.91 -67.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.1 110.887 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -52.41 -35.81 52.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.871 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -52.98 -60.42 3.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 70.2 110.831 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.18 -34.88 33.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.01 110.931 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.7 t -64.17 -64.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 72.55 111.184 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.4 pt -55.21 -34.86 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.03 111.14 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.6 mt -70.12 -67.55 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 63.14 111.128 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 50.4 mt -51.4 -39.91 22.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 65.42 111.119 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.6 t -66.3 -49.59 66.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 75.52 110.883 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.48 -35.96 80.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.951 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.7 t -66.96 -51.67 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.44 111.182 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 93.9 t -58.75 -52.1 64.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 74.42 111.172 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -59.43 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.935 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -52.1 -44.53 64.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.898 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.03 77.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 75.02 111.148 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -50.7 73.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.905 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -59.66 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.2 t -51.99 -51.17 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 72.25 111.147 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 24.6 tp -51.88 -55.31 20.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.934 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.91 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 62.41 111.133 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.0 -35.82 79.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 61.34 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.89 -56.49 11.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 74.55 110.905 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 21.4 pt -59.97 -34.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 75.02 111.087 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.01 -56.8 5.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 71.11 110.916 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -58.43 -47.3 84.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 73.53 110.852 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.95 -45.16 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.912 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -54.83 -32.55 60.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.883 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.1 mm -74.72 -28.65 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 74.21 111.128 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 19.0 mm 72.86 -61.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 73.54 111.171 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -128.66 153.59 79.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 54.12 110.896 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 107.28 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 71.15 112.304 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -118.61 -44.36 2.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.864 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.888 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.2 m120 56.98 42.95 25.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.67 -64.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 71.33 110.86 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.91 -56.81 4.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 74.12 110.923 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.46 -52.28 47.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 75.25 111.105 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.4 96.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 65.13 111.1 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -53.95 49.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.875 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.0 t -63.71 -52.18 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.23 111.096 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -51.72 -50.89 59.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 72.42 110.897 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -60.42 -50.82 72.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 74.23 110.83 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.23 -48.4 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.982 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -50.57 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 73.12 110.863 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.8 t -52.52 -47.76 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 71.53 110.878 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.41 -49.54 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 75.02 111.081 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 10.4 m -52.68 -46.61 67.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.157 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 43.2 mm -64.74 -45.23 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 71.22 111.129 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.1 mt -53.58 -57.91 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 74.03 110.927 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.72 -49.13 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.11 111.084 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -51.95 -55.63 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.51 110.904 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -43.93 80.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.883 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -59.13 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 71.44 110.835 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -41.34 76.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 62.52 110.919 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -54.46 -50.42 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 75.33 110.896 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.5 mm -64.15 -55.92 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.153 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 43.5 mm -52.01 -37.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 74.33 111.112 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.17 -59.92 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.907 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.08 58.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 73.51 110.889 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.4 mt 69.18 -74.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.895 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -129.66 150.44 50.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.3 110.92 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 7.5 p -176.71 144.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 63.34 111.1 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -103.48 127.05 50.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.33 110.913 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -173.63 153.66 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.865 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.4 mp -103.12 36.06 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.874 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 53.56 89.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 74.55 110.881 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -99.93 -42.09 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 65.11 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -146.41 114.46 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 71.31 110.883 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -104.41 152.15 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.35 110.867 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -175.27 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 74.14 110.851 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -55.81 5.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 72.34 110.925 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -52.82 -30.12 31.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 74.51 110.905 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -50.77 -33.51 23.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 75.1 110.87 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 9.7 tp -50.65 -31.57 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 72.23 111.124 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -52.58 -62.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.902 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -46.65 65.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.862 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -54.97 -56.56 18.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 75.52 111.129 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 47.2 t -54.72 -37.47 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 74.32 111.125 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.78 -59.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 74.32 111.075 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 32.4 m -60.2 -27.3 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.25 111.147 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.37 -60.61 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 75.31 111.164 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 22.8 m -60.52 -40.87 85.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 73.01 111.161 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.91 -52.5 62.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 65.34 110.888 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.47 -45.61 76.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 72.42 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ILE . . . . . . . . . . . . . 26.2 mm -58.84 -46.94 90.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 71.03 111.135 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.0 -42.54 85.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.947 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.45 -58.25 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 75.04 110.863 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.5 pt -60.03 -40.89 84.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.13 111.108 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 21.1 t -58.54 -43.16 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.51 111.149 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -36.27 80.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.882 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.99 -50.06 74.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.937 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.51 -25.89 59.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 72.32 110.856 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.05 -69.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.884 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -179.61 -34.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 75.52 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -77.3 57.92 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.885 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -55.92 169.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.933 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 5.3 t80 70.82 -69.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.876 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.46 -25.02 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -48.07 -37.99 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 75.53 111.071 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 59.3 mt -48.81 -35.83 15.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -51.65 -44.94 54.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 72.13 112.513 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.84 -49.97 36.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 75.04 110.9 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.58 -36.66 84.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 65.15 110.93 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 21.7 mt -63.87 -58.56 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 73.1 111.088 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 1.8 pp -54.89 -38.34 67.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.874 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -48.1 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 73.45 110.896 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -58.61 -47.88 82.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 74.35 110.865 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -57.95 6.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.892 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -52.05 -45.64 64.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.906 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -61.07 -64.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.864 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' VAL . . . . . . . . . . . . . 88.0 t -50.18 -58.07 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.143 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.64 -44.77 47.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 73.23 111.079 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -59.36 -50.33 74.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 74.53 110.875 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 45.7 mm -54.18 -61.7 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.111 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 3.7 mp -56.4 -59.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.105 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -50.32 -28.56 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.862 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -73.76 -49.14 14.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 63.31 112.507 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -34.13 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 72.25 111.181 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 14.8 mm -71.36 -51.34 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.141 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 8.4 tt -64.32 -32.37 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 65.24 111.119 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 39.3 t -76.88 -33.58 57.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.881 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 9.4 t -76.34 -44.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 64.43 111.166 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -68.45 -37.47 80.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 74.23 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.14 -30.08 63.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 71.51 111.159 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -130.39 79.24 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.853 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 45.6 t -115.05 39.07 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.01 110.865 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -179.44 -35.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 65.42 110.861 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 64.43 110.865 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.886 0.374 . . . . 70.23 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.743 ' CE2' HD11 ' A' ' 92' ' ' LEU . 25.1 t80 -71.65 -58.38 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.902 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.764 ' HA ' HD12 ' A' ' 92' ' ' LEU . 6.2 mpt_? -52.75 -38.13 60.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.44 110.854 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.34 -40.27 97.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 52.34 112.473 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.3 ttp -67.71 -39.12 84.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 74.51 110.856 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.764 HD12 ' HA ' ' A' ' 89' ' ' ARG . 7.1 mt -65.2 -53.39 45.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 65.43 110.909 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -44.76 95.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 74.02 110.842 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -66.34 -35.86 81.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.903 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.27 -55.96 17.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 43.41 110.914 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.3 -53.18 60.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.833 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -52.49 -51.91 57.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.802 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.859 -179.785 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.876 0.369 . . . . 64.12 110.864 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -58.11 -42.14 85.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 54.02 110.931 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.06 -35.21 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 75.35 111.118 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 mm -70.67 -58.65 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 45.25 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 109' ' ' VAL . 10.5 tt -52.77 -42.98 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.099 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 110' ' ' VAL . 30.7 mm -68.98 -47.21 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 64.51 111.136 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.403 ' O ' HD23 ' A' ' 111' ' ' LEU . 36.2 t -58.95 -35.78 73.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 63.4 110.898 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -51.79 19.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.917 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 105' ' ' ILE . 89.7 t -56.16 -37.33 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 61.53 111.144 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 106' ' ' ILE . 94.3 t -72.77 -52.79 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 71.45 111.106 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 107' ' ' CYS . 2.4 mm? -53.44 -46.15 69.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 54.11 110.912 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.53 -53.63 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.859 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.86 -43.64 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.121 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.66 -49.71 61.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 43.24 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -53.25 58.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.4 110.941 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 64.7 t -59.57 -56.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 65.23 111.154 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.97 -55.28 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.25 110.916 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.11 -47.08 65.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 73.52 111.085 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.46 -34.27 75.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.935 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.9 tp -66.82 -56.77 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 61.42 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.9 pt -59.42 -34.17 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 64.25 111.146 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.31 -36.32 61.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 64.51 110.932 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -70.4 -36.28 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.898 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -38.68 64.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 50.11 110.911 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -32.84 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 63.33 110.905 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 37.2 mm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 71.54 111.119 179.863 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.818 0.342 . . . . 71.54 110.932 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.405 ' C ' HD11 ' A' ' 189' ' ' LEU . 2.3 m-80 51.73 71.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.867 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.59 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.861 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.45 -60.46 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 71.15 110.921 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.61 -52.18 60.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 54.21 111.085 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.66 74.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 73.51 111.107 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -54.79 33.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 22.2 m -67.64 -30.02 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 73.42 111.172 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -67.61 -50.89 55.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.54 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -66.16 -49.08 68.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 71.52 110.87 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.433 ' O ' HG23 ' A' ' 145' ' ' THR . 2.7 m-85 -57.05 -51.23 70.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 64.22 110.902 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -32.78 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 54.23 110.897 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.765 ' HB3' HD11 ' A' ' 201' ' ' LEU . 10.1 m -67.95 -64.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.855 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.617 HG21 ' CD2' ' A' ' 182' ' ' PHE . 2.0 pp -51.68 -40.81 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.14 111.144 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 141' ' ' TYR . 15.4 p -60.52 -60.79 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 74.14 111.166 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 35.1 mm -57.98 -35.09 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 63.13 111.124 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.63 HD11 ' HA ' ' A' ' 205' ' ' ARG . 2.6 mt -61.0 -65.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 73.53 110.884 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.22 -47.6 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 70.3 111.111 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -51.85 -58.89 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.865 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -59.46 -36.33 75.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 72.43 110.875 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -59.3 5.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 73.45 110.877 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.33 -35.9 81.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 75.32 110.888 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -56.37 -48.46 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.922 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.0 mm -72.61 -53.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.53 111.102 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 47.1 mt -51.66 -35.64 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.43 111.143 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -78.24 -51.29 10.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.843 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 70.34 110.886 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.904 0.383 . . . . 65.12 111.161 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.1 tt -53.01 -48.93 67.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 70.23 110.881 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 178' ' ' VAL . 79.2 m-20 -50.9 -48.2 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 62.31 110.859 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -57.3 -56.46 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.21 111.062 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 26.4 t -55.2 -51.69 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 74.12 111.146 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 173' ' ' LEU . 89.1 t -50.42 -50.1 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.155 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 174' ' ' ASP . 89.7 t -61.46 -38.52 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 73.33 111.13 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 179' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 175' ' ' ALA . 86.1 t -59.31 -50.81 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 74.1 111.088 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.458 HG12 HD12 ' A' ' 184' ' ' LEU . 21.8 t -63.06 -44.81 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.131 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.581 ' HB2' HD21 ' A' ' 204' ' ' LEU . 3.8 m -61.25 -53.33 58.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 63.04 110.849 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' PHE . . . . . 0.617 ' CD2' HG21 ' A' ' 144' ' ' ILE . 33.2 t80 -55.93 -58.79 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.876 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 183' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 187' ' ' VAL . 32.9 mm -51.45 -48.61 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 54.31 111.111 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 188' ' ' LEU . 16.7 mt -58.9 -37.32 76.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 63.04 110.917 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.76 -58.37 7.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.83 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.481 HD11 HD13 ' A' ' 183' ' ' ILE . 7.9 pt -59.69 -45.3 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 71.43 111.148 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 187' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 183' ' ' ILE . 53.8 t -57.69 -40.2 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 63.04 111.168 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.646 HD12 ' OE2' ' A' ' 196' ' ' GLU . 3.6 mm? -75.72 -26.18 57.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 70.34 110.886 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 132' ' ' ASN . 12.8 tp -67.35 -50.29 60.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.955 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -89.63 13.48 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.884 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 191' ' ' GLN . . . . . 0.441 ' HB2' ' HA ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -86.04 -169.39 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.2 110.905 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -101.21 87.48 3.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 61.42 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 63.4 110.858 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.94 161.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.942 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 11.6 t80 51.23 70.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 65.2 110.912 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 196' ' ' GLU . . . . . 0.646 ' OE2' HD12 ' A' ' 188' ' ' LEU . 1.5 pt-20 179.61 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 63.31 110.913 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -55.24 -44.56 75.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 70.13 111.132 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.7 ' O ' HD12 ' A' ' 202' ' ' ILE . 21.8 mt -49.64 -35.65 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 71.11 110.958 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -50.37 -46.5 44.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 73.42 112.521 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 204' ' ' LEU . 4.3 mm? -55.43 -38.56 69.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 75.42 110.898 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 143' ' ' SER . 0.2 OUTLIER -68.08 -47.53 68.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.92 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 202' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 198' ' ' LEU . 1.7 mp -54.59 -54.51 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 51.32 111.152 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 200' ' ' LEU . 2.6 pp -62.83 -37.25 86.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.927 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 200' ' ' LEU . 0.2 OUTLIER -55.71 -61.02 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.929 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 205' ' ' ARG . . . . . 0.63 ' HA ' HD11 ' A' ' 147' ' ' LEU . 59.3 ttp85 -64.35 -32.99 74.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.878 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -67.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.944 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.0 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 70.44 110.909 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -71.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 74.34 110.857 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 209' ' ' VAL . . . . . 0.527 HG12 HD13 ' A' ' 213' ' ' ILE . 72.2 t -50.62 -53.45 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 61.24 111.119 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -50.3 -48.93 54.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 63.3 111.104 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -57.44 -48.61 78.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 42.4 mm -54.47 -64.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 213' ' ' ILE . . . . . 0.527 HD13 HG12 ' A' ' 209' ' ' VAL . 3.8 mp -55.29 -58.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.44 111.171 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -50.12 -28.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.898 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -74.03 -49.72 12.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 75.03 112.509 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.1 tt -66.81 -35.42 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 74.31 111.141 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 217' ' ' ILE . . . . . 0.689 HG22 ' HE2' ' A' ' 221' ' ' LYS . 12.4 mm -70.91 -50.86 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.166 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 13.9 tt -64.41 -31.22 52.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 65.31 111.114 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 82.7 p -76.98 -34.96 57.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 70.33 110.866 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 220' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 216' ' ' ILE . 37.7 t -78.05 -43.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 63.22 111.128 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 221' ' ' LYS . . . . . 0.689 ' HE2' HG22 ' A' ' 217' ' ' ILE . 3.8 ptpt -66.49 -37.83 85.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 70.15 110.866 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.4 -30.33 63.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 55.11 111.146 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -80.01 -46.99 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.87 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 71.01 110.835 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.851 0.357 . . . . 74.23 110.856 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.74 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 22.6 t80 -71.98 -53.17 13.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 73.14 110.902 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.824 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -52.7 -39.78 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 75.44 110.896 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.73 99.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 41.21 112.511 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.457 ' O ' HD23 ' A' ' 95' ' ' LEU . 17.4 ttp -65.3 -40.06 93.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 63.1 110.893 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.9 mt -64.33 -52.57 57.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 70.34 110.915 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.0 mtt-85 -59.37 -43.97 92.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 62.4 110.884 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -35.81 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.893 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 91' ' ' MET . 1.6 mm? -68.19 -52.8 30.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 72.03 110.928 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -39.66 88.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.731 ' OG ' HG11 ' A' ' 103' ' ' VAL . 20.2 t -71.24 -58.46 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.864 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 64.23 110.893 -179.813 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.587 ' HA ' HD12 ' A' ' 104' ' ' ILE . 15.3 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.844 0.354 . . . . 74.32 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -64.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 62.4 110.913 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.731 HG11 ' OG ' ' A' ' 97' ' ' SER . 83.2 t -51.43 -31.45 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.33 111.169 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 101' ' ' PHE . 50.5 mt -69.07 -74.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 64.44 111.163 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 109' ' ' VAL . 2.3 pp -50.91 -35.59 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 75.11 111.089 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 110' ' ' VAL . 68.4 mt -67.39 -49.22 73.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.4 111.126 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.2 -35.97 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 61.03 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -51.79 35.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 61.42 110.896 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 105' ' ' ILE . 91.2 t -57.52 -42.44 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 65.31 111.137 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 106' ' ' ILE . 96.0 t -65.67 -53.45 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 73.14 111.135 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.64 -53.81 54.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.11 110.923 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 116' ' ' VAL . 38.7 t70 -56.08 -59.37 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 74.01 110.851 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.92 63.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 74.35 111.102 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.581 HD12 HG12 ' A' ' 110' ' ' VAL . 5.6 mt -61.54 -56.06 24.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.953 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.27 -48.32 76.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.914 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 112' ' ' ASP . 83.3 t -56.43 -55.52 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.141 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.95 -53.38 57.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 74.43 110.889 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.79 -53.21 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 70.1 111.086 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.04 -36.08 80.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 54.42 110.892 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.56 -56.18 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 43.14 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.3 pt -65.09 -34.13 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 61.33 111.09 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -49.85 73.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.928 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -74.52 -34.76 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.86 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.56 -33.51 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 60.33 110.893 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -90.19 -30.27 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.911 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.096 179.852 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.785 0.326 . . . . 64.21 110.888 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 58.28 34.96 24.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 70.4 110.87 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.34 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 51.12 110.907 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -76.81 -60.47 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.968 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.94 -52.28 63.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 75.31 111.131 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.584 ' CB ' HD11 ' A' ' 189' ' ' LEU . . . -57.63 -38.31 74.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 63.3 111.121 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -53.93 50.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.869 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.01 -48.13 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 55.24 111.135 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -57.78 -50.56 72.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 74.4 110.881 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' HIS . . . . . 0.718 ' CD2' HD22 ' A' ' 201' ' ' LEU . 12.7 m170 -59.01 -51.88 68.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 71.23 110.811 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -50.63 -54.87 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 60.44 110.905 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.0 ttt -54.27 -55.44 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 73.43 110.918 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.91 -58.42 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 63.45 110.8 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.727 HG21 ' CD2' ' A' ' 182' ' ' PHE . 7.5 mt -54.26 -45.31 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 64.45 111.132 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 94.1 m -51.77 -53.47 39.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 73.54 111.114 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.59 -37.94 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 73.45 111.13 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 208' ' ' ARG . 13.4 tp -59.45 -65.97 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.932 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 37.1 t -54.65 -43.71 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 42.52 111.087 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -51.7 -58.71 5.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.2 110.87 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -48.24 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 62.22 110.902 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' MET . . . . . 0.522 ' SD ' HD11 ' A' ' 212' ' ' ILE . 5.4 tpt -52.35 -54.39 32.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 72.34 110.894 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -41.02 78.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.11 110.897 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -59.91 -46.21 90.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.879 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.97 -62.04 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 41.13 111.1 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.58 -33.62 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 63.41 111.147 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -67.15 -57.38 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 73.54 110.854 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 73.12 110.885 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.722 ' O ' HG23 ' A' ' 176' ' ' VAL . 74.3 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.895 0.378 . . . . 75.04 111.167 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 173' ' ' LEU . 3.2 tm? -51.7 -54.23 30.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.914 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ASP . . . . . 0.642 ' O ' HG23 ' A' ' 178' ' ' VAL . 98.7 m-20 -51.99 -52.07 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 61.25 110.912 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.58 -36.6 69.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 61.53 111.089 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 172' ' ' ILE . 95.3 t -64.03 -59.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 70.24 111.1 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.58 -30.57 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.136 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 174' ' ' ASP . 43.2 t -66.69 -57.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.14 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.47 -35.06 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 55.25 111.09 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 176' ' ' VAL . 57.4 t -64.43 -47.25 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.5 111.122 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.709 ' O ' HD21 ' A' ' 204' ' ' LEU . 1.3 p -65.81 -45.02 83.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 75.03 110.899 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' PHE . . . . . 0.727 ' CD2' HG21 ' A' ' 144' ' ' ILE . 7.3 t80 -56.48 -59.01 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 75.43 110.85 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' ILE . . . . . 0.98 HD12 HD11 ' A' ' 186' ' ' ILE . 8.3 tp -59.38 -35.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 73.44 111.174 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.49 -48.91 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 70.2 110.905 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 185' ' ' ASP . . . . . 0.572 ' HB2' HD22 ' A' ' 204' ' ' LEU . 3.3 t70 -60.23 -56.54 20.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.876 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.98 HD11 HD12 ' A' ' 183' ' ' ILE . 19.7 pt -57.67 -33.29 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.22 111.125 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 183' ' ' ILE . 2.6 t -70.84 -52.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 70.1 111.12 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -28.85 68.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.885 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.658 HD22 ' CE1' ' A' ' 140' ' ' HIS . 14.8 tp -78.67 -41.38 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.889 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -92.31 14.4 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.878 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -152.83 -179.02 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.904 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.07 -166.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.83 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -51.88 -25.51 8.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.823 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 58.89 -178.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 61.01 110.896 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 74.07 -61.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.91 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -91.29 36.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 71.23 110.923 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -101.94 -20.47 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.44 111.089 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 12.7 mt -45.99 -35.0 4.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.03 -41.69 29.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 62.52 112.471 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.541 ' HA ' HD21 ' A' ' 203' ' ' LEU . 2.4 mm? -55.31 -42.83 74.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 74.41 110.947 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.718 HD22 ' CD2' ' A' ' 140' ' ' HIS . 8.5 tp -66.07 -42.92 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.896 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 14.8 mm -57.25 -59.83 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 72.23 111.118 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.607 HD13 ' CH2' ' A' ' 207' ' ' TRP . 1.0 OUTLIER -55.73 -43.55 76.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.924 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.709 HD21 ' O ' ' A' ' 181' ' ' SER . 1.9 mp -51.55 -60.13 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 72.15 110.923 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 205' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 209' ' ' VAL . 2.2 ttt-85 -56.95 -45.14 83.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 73.45 110.839 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.72 -42.95 76.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 70.35 110.91 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 207' ' ' TRP . . . . . 0.607 ' CH2' HD13 ' A' ' 203' ' ' LEU . 47.7 m0 -64.04 -58.23 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.911 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 208' ' ' ARG . . . . . 0.664 ' HB2' HD11 ' A' ' 147' ' ' LEU . 1.1 mmp_? -55.76 -58.46 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.915 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 209' ' ' VAL . . . . . 0.507 HG12 HD13 ' A' ' 213' ' ' ILE . 95.9 t -50.09 -58.49 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.104 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.81 -41.33 44.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 63.41 111.104 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -47.13 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.872 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 212' ' ' ILE . . . . . 0.522 HD11 ' SD ' ' A' ' 151' ' ' MET . 49.1 mm -59.06 -61.71 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 62.14 111.117 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 213' ' ' ILE . . . . . 0.507 HD13 HG12 ' A' ' 209' ' ' VAL . 3.7 mp -53.35 -58.32 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.151 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -49.79 -38.97 36.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.868 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -65.33 -42.37 96.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 74.1 112.505 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.558 ' O ' HG23 ' A' ' 220' ' ' VAL . 0.4 OUTLIER -66.39 -33.26 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 72.21 111.152 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 34.8 mm -71.11 -46.51 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 71.54 111.155 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 19.3 tt -67.84 -31.84 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 70.31 111.139 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 219' ' ' SER . . . . . 0.418 ' HA ' HG22 ' A' ' 222' ' ' THR . 2.9 t -75.95 -34.55 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 72.51 110.84 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 220' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 216' ' ' ILE . 41.4 t -76.41 -37.97 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 73.25 111.133 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -74.53 -37.17 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 64.23 110.921 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 222' ' ' THR . . . . . 0.418 HG22 ' HA ' ' A' ' 219' ' ' SER . 7.2 t -73.18 -30.8 63.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 72.34 111.143 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -36.6 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 74.43 110.839 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.861 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.839 0.352 . . . . 61.4 110.825 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.748 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 24.0 t80 -71.85 -53.06 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.902 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' A' ' 92' ' ' LEU . 17.7 mmm180 -52.5 -40.18 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.876 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.47 -38.56 96.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 72.22 112.506 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.4 ttp -67.91 -39.31 83.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 71.05 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.748 HD21 ' CZ ' ' A' ' 88' ' ' PHE . 8.0 mt -65.83 -52.19 52.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 73.31 110.901 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -45.07 95.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 75.54 110.831 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -67.04 -36.13 81.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 61.33 110.892 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.72 -52.28 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -64.45 -45.63 86.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.908 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 t -58.1 -44.33 87.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 62.51 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.877 -179.836 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.314 . . . . 72.54 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.691 ' HA ' HD12 ' A' ' 105' ' ' ILE . 32.3 tt0 -51.92 -42.57 62.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.892 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.87 -47.87 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 72.4 111.153 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.76 -35.73 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 102' ' ' GLN . 28.7 mt -65.64 -61.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 74.44 111.167 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 110' ' ' VAL . 3.5 tt -57.06 -35.69 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.51 111.175 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.17 -48.96 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 63.21 110.882 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.708 HD13 ' CE2' ' A' ' 150' ' ' PHE . 21.3 tp -65.27 -43.03 92.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.911 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 105' ' ' ILE . 90.0 t -59.06 -55.48 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 70.2 111.145 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 106' ' ' ILE . 61.8 t -61.66 -53.63 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.188 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.499 HD23 ' HE1' ' A' ' 150' ' ' PHE . 15.9 tp -54.24 -62.44 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 72.52 110.874 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.49 ' O ' HG23 ' A' ' 116' ' ' VAL . 30.5 t70 -51.91 -41.57 62.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.898 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.75 76.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 64.31 111.1 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.15 -53.44 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 70.52 110.932 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 mt -55.29 -59.72 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.917 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 112' ' ' ASP . 97.8 t -53.88 -39.71 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 63.11 111.127 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.04 -55.38 35.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.912 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.36 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 72.31 111.097 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -35.65 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 73.23 110.874 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.07 -54.9 26.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.23 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.0 pt -63.18 -34.2 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.153 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.49 -40.53 70.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.993 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -74.41 -35.56 63.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.13 110.885 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -70.76 -34.25 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.941 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -32.72 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.955 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 63.2 111.134 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.802 0.334 . . . . 62.33 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 59.28 85.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 65.02 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.34 -169.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 52.33 110.899 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.412 ' O ' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -51.83 -38.9 57.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.01 110.896 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.86 -52.55 59.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 61.13 111.143 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 1.138 ' HB1' HD11 ' A' ' 189' ' ' LEU . . . -63.1 -53.27 56.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 72.21 111.111 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -53.65 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.872 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 134' ' ' TYR . 52.0 t -58.96 -52.82 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 75.11 111.127 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.02 -51.22 58.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 64.45 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' HIS . . . . . 0.606 ' NE2' HD13 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -63.0 -50.21 71.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 75.55 110.859 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -51.51 -47.19 63.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.955 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.3 ttt -62.19 -52.47 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 63.21 110.855 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.626 ' CB ' HD11 ' A' ' 201' ' ' LEU . 4.4 m -51.78 -54.43 28.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 61.42 110.805 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.553 ' CD1' HD22 ' A' ' 204' ' ' LEU . 41.7 mm -56.68 -45.52 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.144 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 95.2 m -54.36 -45.75 72.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 35.41 111.131 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 42.5 mm -65.31 -44.5 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.32 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.703 HD11 ' HA ' ' A' ' 205' ' ' ARG . 12.9 mt -55.23 -60.76 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.947 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 41.8 t -58.39 -43.72 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.31 111.137 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -51.74 -55.48 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.851 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.708 ' CE2' HD13 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -61.4 -41.44 97.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.859 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 151' ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -51.97 -59.53 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.05 110.897 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.403 ' HA ' HD12 ' A' ' 155' ' ' ILE . 20.9 mmt -61.81 -40.38 95.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.891 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -52.19 -45.8 65.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.6 mm -72.68 -49.33 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 63.12 111.135 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.597 HD11 ' SD ' ' A' ' 151' ' ' MET . 26.8 mt -51.8 -37.46 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.151 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -82.89 -45.88 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.856 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 51.34 110.891 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.856 0.36 . . . . 74.33 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.0 tt -54.79 -52.38 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 63.23 110.887 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ASP . . . . . 0.702 ' O ' HG23 ' A' ' 178' ' ' VAL . 1.4 m-20 -50.94 -50.76 57.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.869 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -54.9 -49.49 71.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 61.12 111.072 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 180' ' ' VAL . 88.6 t -63.48 -35.29 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.53 111.156 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 173' ' ' LEU . 96.9 t -72.12 -33.61 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 72.34 111.12 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 178' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 174' ' ' ASP . 88.9 t -72.75 -43.31 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.34 111.132 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 179' ' ' VAL . . . . . 0.655 ' O ' HG22 ' A' ' 183' ' ' ILE . 7.6 p -68.43 -43.35 84.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 75.44 111.165 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 176' ' ' VAL . 10.5 p -68.52 -37.77 78.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 72.35 111.164 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.525 ' C ' HD11 ' A' ' 204' ' ' LEU . 85.0 p -71.6 -40.01 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 62.42 110.859 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.75 -53.04 53.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 70.13 110.87 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 179' ' ' VAL . 11.0 tt -62.99 -41.37 92.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 74.32 111.116 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.758 HD23 HD11 ' A' ' 200' ' ' LEU . 3.7 tp -68.62 -29.06 67.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 65.13 110.882 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.09 -51.03 23.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 63.04 110.903 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 187' ' ' VAL . 11.9 pt -60.86 -45.08 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 54.33 111.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 183' ' ' ILE . 22.0 m -66.02 -37.82 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.128 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.402 HD12 ' HG ' ' A' ' 200' ' ' LEU . 21.3 mt -73.15 -31.2 64.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.953 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 1.138 HD11 ' HB1' ' A' ' 136' ' ' ALA . 1.1 tp -70.17 -48.19 58.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.929 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -64.17 -41.04 97.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.879 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -174.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 71.43 110.93 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -103.97 35.81 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 62.44 110.857 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -34.72 76.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.11 110.861 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? 66.47 124.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.948 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 74.51 -59.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.857 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -27.89 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.872 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.786 ' HB1' HD12 ' A' ' 189' ' ' LEU . . . -46.23 -64.54 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 64.5 111.073 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.01 -36.45 61.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 54.14 110.925 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.74 -45.52 39.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 75.55 112.501 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.758 HD11 HD23 ' A' ' 184' ' ' LEU . 1.9 mm? -53.38 -40.25 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 52.01 110.905 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.626 HD11 ' CB ' ' A' ' 143' ' ' SER . 0.2 OUTLIER -68.58 -44.61 74.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 71.24 110.902 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 13.1 mm -55.11 -57.81 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.45 111.186 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.604 HD21 ' HA ' ' A' ' 200' ' ' LEU . 1.2 pp -57.39 -43.98 84.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.925 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 144' ' ' ILE . 0.0 OUTLIER -50.99 -61.23 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.92 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 205' ' ' ARG . . . . . 0.703 ' HA ' HD11 ' A' ' 147' ' ' LEU . 0.7 OUTLIER -61.79 -34.41 75.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 72.24 110.881 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -70.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.919 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -57.89 -31.32 66.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.863 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 208' ' ' ARG . . . . . 0.619 ' HD3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -62.5 -74.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 73.32 110.885 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 209' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 205' ' ' ARG . 13.8 p -51.15 -35.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.23 111.113 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -60.44 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 61.01 111.071 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -55.34 -38.33 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.04 110.874 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 212' ' ' ILE . . . . . 0.522 HD11 HH21 ' A' ' 208' ' ' ARG . 33.1 mm -59.28 -69.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.15 111.146 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 213' ' ' ILE . . . . . 0.646 HD13 HG22 ' A' ' 209' ' ' VAL . 3.3 mp -58.31 -59.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 63.05 111.168 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -50.56 -32.69 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.4 110.913 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.46 -45.14 55.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 70.43 112.498 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 220' ' ' VAL . 1.7 tt -65.21 -33.79 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 54.31 111.137 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 217' ' ' ILE . . . . . 0.656 HG22 ' HE2' ' A' ' 221' ' ' LYS . 31.8 mm -71.84 -50.69 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 61.32 111.127 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 21.4 tt -63.43 -31.91 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.169 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 5.0 t -76.7 -35.18 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.834 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 220' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 216' ' ' ILE . 35.1 t -76.98 -42.57 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 61.42 111.123 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 221' ' ' LYS . . . . . 0.656 ' HE2' HG22 ' A' ' 217' ' ' ILE . 4.0 ptpt -68.58 -37.77 80.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 72.11 110.91 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.25 -30.39 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 71.25 111.136 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -144.27 110.53 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 60.53 110.867 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.848 -179.787 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.876 0.37 . . . . 61.34 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.755 ' CE2' HD11 ' A' ' 92' ' ' LEU . 28.1 t80 -71.82 -58.43 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.874 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.798 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.68 -39.19 61.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 65.55 110.883 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.13 99.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 32.12 112.503 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.82 -40.08 91.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 73.04 110.865 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.2 mt -64.57 -54.08 37.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.913 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -59.09 -42.39 90.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 52.43 110.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -67.54 -40.26 85.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 63.22 110.911 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.56 -53.92 51.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.912 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.47 -55.85 23.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 90.3 p -52.2 -36.45 52.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 70.44 110.826 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.895 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.814 ' HA ' HD12 ' A' ' 104' ' ' ILE . 47.5 p90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.858 0.361 . . . . 72.52 110.865 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.41 -49.93 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.952 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.48 -32.91 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 75.11 111.097 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 101' ' ' PHE . 35.2 mt -66.55 -59.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 61.44 111.163 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 109' ' ' VAL . 10.1 tt -56.79 -39.77 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 64.24 111.16 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.544 ' O ' HG23 ' A' ' 110' ' ' VAL . 63.2 mt -69.21 -43.11 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 74.01 111.161 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.0 t -63.43 -35.65 81.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 52.22 110.845 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.23 -51.78 19.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 64.43 110.883 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 105' ' ' ILE . 84.9 t -56.51 -44.5 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.156 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 106' ' ' ILE . 97.9 t -69.52 -44.83 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 74.22 111.101 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.67 HD22 HG23 ' A' ' 146' ' ' ILE . 12.8 mt -54.51 -55.91 24.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 75.04 110.909 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.89 -49.38 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.891 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.81 -47.95 64.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 72.1 111.095 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.07 -43.32 87.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 72.43 110.907 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.76 -59.64 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.891 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.07 -54.59 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 55.33 111.095 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.4 tp -51.91 -55.34 20.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 63.44 110.911 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.624 ' O ' HD12 ' A' ' 122' ' ' LEU . . . -52.79 -45.02 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.51 111.098 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.94 -35.91 79.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -56.51 9.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 65.51 110.899 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.8 pt -59.0 -34.56 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 70.21 111.118 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -69.73 -56.79 6.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.902 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -52.48 50.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.44 110.882 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.64 -33.82 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 64.21 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -54.49 -50.58 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.35 110.864 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 2.6 pt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.105 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.814 0.34 . . . . 73.2 110.951 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 51.65 86.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.873 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.5 t30 179.48 -76.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 71.13 110.898 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -77.15 -60.55 2.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 65.04 110.954 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.52 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 74.52 111.095 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 1.054 ' HB1' HD11 ' A' ' 189' ' ' LEU . . . -54.0 -44.65 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 55.55 111.148 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -54.18 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 64.04 110.841 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 67.1 t -51.58 -55.99 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 71.13 111.098 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.466 ' HE1' HD13 ' A' ' 122' ' ' LEU . 25.9 m-85 -53.31 -50.96 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.87 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' HIS . . . . . 0.733 ' CD2' HD22 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -57.59 -45.08 85.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.872 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.72 -49.95 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 73.02 110.908 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 2.4 mtp -61.16 -38.6 87.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.851 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.704 ' CB ' HD11 ' A' ' 201' ' ' LEU . 4.1 t -60.24 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 70.54 110.821 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 7.2 tp -58.86 -35.38 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 63.23 111.138 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 70.4 m -59.74 -56.09 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 63.52 111.174 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.67 HG23 HD22 ' A' ' 111' ' ' LEU . 74.8 mt -65.94 -34.61 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.145 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 208' ' ' ARG . 9.1 tp -61.06 -63.74 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 63.32 110.898 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.71 -49.17 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.114 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -51.92 -59.06 4.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.868 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.03 -50.67 63.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 75.45 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -49.48 62.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.88 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -42.4 90.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 62.44 110.895 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -60.25 -42.48 95.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.92 -61.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 64.14 111.14 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 25.2 pt -53.55 -32.46 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.11 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.13 -58.49 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 75.44 110.898 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.893 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.68 ' O ' HG23 ' A' ' 176' ' ' VAL . 51.1 mm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.838 0.351 . . . . 74.43 111.164 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.53 HD23 ' N ' ' A' ' 174' ' ' ASP . 4.4 tt -52.27 -56.9 11.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.931 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ASP . . . . . 0.53 ' N ' HD23 ' A' ' 173' ' ' LEU . 21.3 t0 -51.74 -51.54 55.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 70.23 110.841 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 179' ' ' VAL . . . -55.21 -37.58 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.096 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 172' ' ' ILE . 68.5 t -72.66 -30.84 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.105 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 173' ' ' LEU . 99.0 t -76.66 -39.26 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.54 111.128 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 29.2 m -70.44 -38.64 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 61.13 111.121 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 175' ' ' ALA . 30.8 m -72.47 -44.25 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 64.4 111.104 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.482 ' N ' HG23 ' A' ' 179' ' ' VAL . 8.9 p -68.64 -37.42 77.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 45.42 111.121 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.708 ' C ' HD21 ' A' ' 204' ' ' LEU . 83.6 p -68.99 -51.58 37.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 55.13 110.849 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -57.86 -48.34 80.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.883 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 187' ' ' VAL . 66.9 mt -57.4 -51.18 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.01 111.126 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -38.08 74.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.916 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' ASP . . . . . 0.521 ' OD2' HD23 ' A' ' 201' ' ' LEU . 0.8 OUTLIER -62.33 -57.37 11.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.835 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.1 pt -61.99 -40.84 88.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 72.43 111.131 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 187' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 183' ' ' ILE . 37.8 t -55.7 -48.69 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 70.41 111.178 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.775 HD13 HD21 ' A' ' 200' ' ' LEU . 0.1 OUTLIER -72.9 -30.75 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 74.04 110.932 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 1.054 HD11 ' HB1' ' A' ' 136' ' ' ALA . 16.9 tp -58.74 -50.39 74.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.922 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -79.98 -23.95 41.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.34 110.848 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -45.7 -38.65 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 43.4 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -163.66 169.62 18.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 63.42 110.856 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -90.99 45.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 70.12 110.833 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.4 121.47 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.879 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 195' ' ' PHE . . . . . 0.444 ' CE2' HD12 ' A' ' 198' ' ' LEU . 1.8 t80 -50.16 -34.31 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.867 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -51.77 -33.33 34.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.903 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 189' ' ' LEU . . . -52.02 -47.47 64.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 70.25 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.444 HD12 ' CE2' ' A' ' 195' ' ' PHE . 8.4 mt -50.35 -34.86 25.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.942 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.36 -41.76 32.61 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.763 -0.732 . . . . 71.33 112.483 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.775 HD21 HD13 ' A' ' 188' ' ' LEU . 2.6 mp -52.57 -43.69 65.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 71.21 110.882 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.704 HD11 ' CB ' ' A' ' 143' ' ' SER . 2.3 tm? -67.35 -42.08 84.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.918 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 13.2 mm -58.18 -57.56 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 61.25 111.131 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.596 HD13 ' CH2' ' A' ' 207' ' ' TRP . 1.1 pp -58.05 -43.39 86.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 64.33 110.914 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.708 HD21 ' C ' ' A' ' 181' ' ' SER . 2.0 mp -51.96 -61.29 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 71.42 110.9 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 205' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 209' ' ' VAL . 2.6 ptm180 -60.06 -33.22 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.841 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 23.1 tp -64.32 -46.82 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 207' ' ' TRP . . . . . 0.596 ' CH2' HD13 ' A' ' 203' ' ' LEU . 42.2 m0 -62.88 -53.21 57.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 72.15 110.952 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 208' ' ' ARG . . . . . 0.541 ' HB2' HD21 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -55.76 -61.72 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 64.13 110.867 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 209' ' ' VAL . . . . . 0.486 HG12 HD13 ' A' ' 213' ' ' ILE . 91.7 t -51.54 -63.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 53.4 111.106 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -47.88 -44.57 29.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.54 111.1 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -56.78 -53.08 61.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.887 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 46.7 mm -56.3 -63.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 74.13 111.151 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 213' ' ' ILE . . . . . 0.486 HD13 HG12 ' A' ' 209' ' ' VAL . 3.5 mp -51.27 -59.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 65.23 111.095 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -50.64 -33.15 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 72.12 110.879 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -69.7 -45.39 58.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 75.05 112.476 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 220' ' ' VAL . 0.4 OUTLIER -65.15 -33.91 66.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 60.12 111.131 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 34.8 mm -72.02 -53.44 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.41 111.136 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.13 -31.66 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 61.41 111.124 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 219' ' ' SER . . . . . 0.716 ' O ' HG22 ' A' ' 222' ' ' THR . 4.3 t -76.22 -36.1 58.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.881 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 220' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 216' ' ' ILE . 24.2 t -73.86 -29.52 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 52.03 111.09 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -54.44 -33.69 60.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.894 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 222' ' ' THR . . . . . 0.716 HG22 ' O ' ' A' ' 219' ' ' SER . 2.9 t -72.73 -24.52 60.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 72.44 111.147 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.57 -84.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 72.05 110.824 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.855 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.842 0.353 . . . . 64.2 110.849 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.755 ' CE2' HD11 ' A' ' 92' ' ' LEU . 26.2 t80 -71.63 -58.39 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.904 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.805 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -53.0 -37.06 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 64.44 110.865 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.16 96.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 71.22 112.52 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.4 ttp -65.27 -38.9 91.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 72.54 110.867 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.805 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.6 mt -65.37 -54.45 28.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.927 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -59.83 -41.75 92.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.918 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -68.12 -36.23 79.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 72.32 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.72 -54.83 25.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.952 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -47.01 86.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.54 110.918 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 t -60.43 -38.42 84.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.871 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 54.3 110.875 -179.837 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.612 ' O ' HD12 ' A' ' 105' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.775 0.322 . . . . 73.33 110.866 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -51.78 -40.38 60.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.897 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.67 -47.18 94.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 62.13 111.128 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.2 mt -60.65 -56.53 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.11 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.632 ' CG1' HD11 ' A' ' 216' ' ' ILE . 3.8 mt -51.8 -56.77 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 65.03 111.128 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 110' ' ' VAL . 51.8 mt -58.18 -39.88 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 71.12 111.151 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.6 t -65.01 -33.74 76.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 51.04 110.863 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 108' ' ' LEU . 7.2 tt -71.34 -52.33 19.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.904 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.5 m -60.19 -39.23 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.41 111.091 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 106' ' ' ILE . 71.5 t -72.64 -45.44 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 64.31 111.131 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -55.91 -49.91 72.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.933 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.48 -48.48 64.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.864 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.03 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 22.43 111.117 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.73 -40.83 75.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 73.33 110.89 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 111' ' ' LEU . 1.7 mm? -58.29 -55.48 34.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 73.24 110.949 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.53 -53.37 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 62.4 111.112 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.1 tp -51.82 -55.31 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 64.21 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.55 -48.92 76.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.1 111.092 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -35.72 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 70.35 110.868 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.98 -56.64 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.882 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.8 pt -60.03 -33.99 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 62.12 111.136 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.25 -51.04 41.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 62.24 110.909 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -57.87 -44.52 86.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.86 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.82 -35.87 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -54.76 -35.7 64.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.935 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 47.9 mm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 73.45 111.148 179.849 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.556 ' HE3' HD21 ' A' ' 198' ' ' LEU . 2.4 mtmt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.752 0.311 . . . . 65.35 110.905 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 51.28 62.71 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 62.54 110.861 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.589 ' N ' HD21 ' A' ' 189' ' ' LEU . 0.1 OUTLIER 179.58 -165.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 54.21 110.886 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -46.49 -47.25 19.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.51 110.951 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.76 -41.99 71.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 72.32 111.093 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.743 ' HB1' HD11 ' A' ' 189' ' ' LEU . . . -65.76 -50.56 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 52.12 111.122 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.5 ttp -51.79 -53.92 34.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.876 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.76 -45.18 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 53.45 111.14 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.33 -48.64 78.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 64.2 110.914 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -61.89 -50.72 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.13 110.877 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -46.32 64.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.938 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.9 ttp -65.04 -42.18 94.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.2 110.85 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 t -60.8 -50.86 71.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 71.43 110.912 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.3 mm -60.45 -52.38 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 72.45 111.091 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 62.6 m -51.54 -51.86 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.115 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 42.9 mt -63.2 -34.99 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 73.52 111.142 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.812 HD11 ' HG2' ' A' ' 208' ' ' ARG . 0.7 OUTLIER -60.13 -62.49 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 71.32 110.873 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.05 -35.42 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 34.13 111.138 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -64.09 -51.2 65.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.828 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.37 -46.23 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.868 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' MET . . . . . 0.42 ' CG ' HD11 ' A' ' 212' ' ' ILE . 0.0 OUTLIER -56.97 -59.64 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.881 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -36.15 68.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.7 -53.54 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.834 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.57 -55.37 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 73.43 111.122 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 44.2 mm -53.0 -38.69 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 64.14 111.183 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -70.6 -55.46 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.916 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 54.34 110.902 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 31.7 mm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.841 0.353 . . . . 71.21 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.764 ' O ' HG23 ' A' ' 177' ' ' VAL . 4.3 tt -52.99 -57.25 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 63.43 110.916 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ASP . . . . . 0.587 ' N ' HD23 ' A' ' 173' ' ' LEU . 1.4 p30 -49.79 -45.5 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 73.41 110.864 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.605 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -51.81 -56.35 14.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 73.13 111.114 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 180' ' ' VAL . 21.9 t -57.29 -41.01 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.125 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 173' ' ' LEU . 21.9 t -56.04 -64.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 62.31 111.111 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 31.2 m -54.39 -33.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 73.02 111.127 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 175' ' ' ALA . 41.7 t -66.17 -44.4 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 73.02 111.104 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 176' ' ' VAL . 98.6 t -64.04 -44.78 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 53.34 111.117 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 70.8 m -61.88 -53.14 59.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 35.04 110.882 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -56.46 -58.96 5.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 65.14 110.884 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 183' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 187' ' ' VAL . 78.5 mt -52.73 -50.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.51 111.111 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 1.044 HD23 HD11 ' A' ' 200' ' ' LEU . 31.4 tp -56.14 -35.29 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 64.23 110.932 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.29 -57.78 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.851 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.0 pt -61.5 -40.02 84.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 75.2 111.156 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 187' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 183' ' ' ILE . 52.8 t -59.27 -54.78 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 74.53 111.151 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 184' ' ' LEU . 3.9 mm? -61.74 -33.96 74.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 75.21 110.931 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.743 HD11 ' HB1' ' A' ' 136' ' ' ALA . 0.4 OUTLIER -62.2 -46.92 86.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 62.44 110.884 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -91.4 13.46 17.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.932 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -110.61 -74.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 75.14 110.892 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -26.3 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 62.21 110.891 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 1.4 t60 64.81 34.56 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.844 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -119.12 175.5 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.877 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -54.46 -25.76 27.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.35 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -46.39 -35.98 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.902 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.47 67.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 43.31 111.079 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.556 HD21 ' HE3' ' A' ' 131' ' ' LYS . 7.2 mp -59.56 -35.21 73.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 63.44 110.889 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -48.16 -37.1 16.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 25.14 112.465 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 1.044 HD11 HD23 ' A' ' 184' ' ' LEU . 4.3 mm? -61.0 -44.65 97.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 75.01 110.919 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -35.9 82.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 65.21 110.926 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 10.1 mm -64.78 -58.84 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 71.12 111.135 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.613 HD12 ' N ' ' A' ' 204' ' ' LEU . 3.3 pp -55.61 -35.52 65.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 53.14 110.885 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 203' ' ' LEU . 0.5 OUTLIER -64.72 -54.75 26.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.909 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -58.49 -39.71 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 72.01 110.909 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.29 -35.84 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.883 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 207' ' ' TRP . . . . . 0.416 ' CE3' HD23 ' A' ' 204' ' ' LEU . 0.9 OUTLIER -71.62 -51.87 20.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 71.3 110.889 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 208' ' ' ARG . . . . . 0.812 ' HG2' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -60.64 -46.9 88.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 73.05 110.863 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 209' ' ' VAL . . . . . 0.416 ' O ' ' HB ' ' A' ' 213' ' ' ILE . 6.0 p -64.9 -36.98 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 73.31 111.117 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -61.5 -56.96 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.3 111.124 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -63.65 -51.88 63.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.44 110.901 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 212' ' ' ILE . . . . . 0.42 HD11 ' CG ' ' A' ' 151' ' ' MET . 19.5 mm -51.23 -68.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 75.13 111.12 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 213' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 209' ' ' VAL . 1.7 mp -49.73 -39.79 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.41 111.151 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -63.82 -37.03 85.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 63.34 110.896 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.05 -44.94 59.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 53.23 112.498 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.632 HD11 ' CG1' ' A' ' 105' ' ' ILE . 5.9 tt -68.5 -36.01 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 65.31 111.129 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 217' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 218' ' ' ILE . 1.1 mp -68.84 -47.96 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 71.04 111.118 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.405 ' N ' HG22 ' A' ' 217' ' ' ILE . 10.7 tt -66.47 -33.67 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 64.04 111.136 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.2 p -77.1 -32.29 56.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 72.24 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 220' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 216' ' ' ILE . 19.9 t -78.83 -39.33 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 72.32 111.106 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -72.14 -35.97 69.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.901 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 10.3 t -72.48 -29.69 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.22 111.167 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.02 28.39 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 72.32 110.85 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 62.24 110.887 -179.801 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.852 0.358 . . . . 42.31 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.759 ' CE2' HD11 ' A' ' 92' ' ' LEU . 27.3 t80 -71.81 -58.35 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.906 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.803 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.59 -40.16 62.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.15 110.856 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.63 -39.98 98.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.664 -0.779 . . . . 75.34 112.475 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.5 ttm -67.12 -39.92 86.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 72.11 110.859 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.803 HD12 ' HA ' ' A' ' 89' ' ' ARG . 6.4 mt -64.09 -53.03 56.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.939 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -60.39 -45.1 94.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.869 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -65.75 -35.8 81.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.902 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mt -64.61 -57.57 8.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 62.03 110.932 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -58.65 -50.61 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.5 t -56.94 -43.14 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 60.43 110.887 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 75.31 110.876 -179.813 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.784 0.326 . . . . 73.32 110.938 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.615 ' HA ' HD12 ' A' ' 105' ' ' ILE . 9.1 tt0 -51.94 -46.47 64.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.972 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.9 t -52.74 -47.91 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 72.4 111.176 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 53.2 mt -63.39 -44.27 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 74.34 111.137 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 109' ' ' VAL . 48.3 mt -56.01 -63.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.42 111.167 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 110' ' ' VAL . 3.1 tt -58.24 -35.56 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.03 111.115 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.474 ' O ' HD23 ' A' ' 111' ' ' LEU . 38.2 t -56.68 -57.15 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 65.35 110.875 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.73 HD13 ' CZ ' ' A' ' 150' ' ' PHE . 8.3 tp -62.7 -48.54 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 73.43 110.936 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 105' ' ' ILE . 88.8 t -52.23 -56.4 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.33 111.128 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 106' ' ' ILE . 95.7 t -60.73 -38.63 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 73.51 111.082 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.7 mm? -60.83 -52.43 65.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 55.31 110.918 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.67 -55.29 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.896 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.85 -49.99 67.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 54.31 111.081 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.489 HD12 HG12 ' A' ' 110' ' ' VAL . 45.4 mt -63.08 -35.63 80.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 72.24 110.938 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 111' ' ' LEU . 1.1 mm? -61.27 -59.65 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 75.01 110.915 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.7 p -59.98 -38.76 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 50.14 111.139 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.67 -55.4 23.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 71.01 110.973 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.28 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.124 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -51.55 68.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.847 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 -56.63 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.912 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.451 HD13 ' O ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -60.06 -29.48 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 72.43 111.149 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.421 ' O ' HD13 ' A' ' 126' ' ' ILE . 7.6 mt -69.47 -56.92 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 73.14 110.907 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.32 -36.0 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.858 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.22 -30.8 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 52.4 110.908 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.43 -35.39 65.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.937 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.22 111.156 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.795 0.331 . . . . 64.51 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.99 91.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.929 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.84 -174.24 4.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.955 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -35.71 73.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 64.33 110.928 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.69 -53.9 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 15.24 111.095 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.61 ' HB1' HD21 ' A' ' 189' ' ' LEU . . . -67.78 -34.59 77.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 63.13 111.155 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.81 -52.7 59.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 60.41 110.867 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.3 -32.42 57.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 74.33 111.127 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -51.4 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.909 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -42.85 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 71.4 110.853 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.39 -44.81 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.909 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.573 ' O ' HG22 ' A' ' 146' ' ' ILE . 1.0 OUTLIER -67.43 -36.53 81.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 72.13 110.858 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.677 ' CB ' HD11 ' A' ' 201' ' ' LEU . 12.1 t -66.46 -56.98 8.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.858 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 145' ' ' THR . 2.6 pp -61.93 -34.71 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 63.11 111.133 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.47 ' N ' HD12 ' A' ' 144' ' ' ILE . 15.9 m -65.65 -65.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.25 111.177 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 142' ' ' MET . 1.4 tp -55.57 -33.47 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.112 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.751 HD22 ' CG ' ' A' ' 208' ' ' ARG . 16.4 mt -64.43 -64.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 43.34 110.91 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.88 -45.85 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 71.11 111.121 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.32 -53.41 51.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 74.24 110.884 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.73 ' CZ ' HD13 ' A' ' 108' ' ' LEU . 36.3 t80 -58.37 -55.43 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 73.32 110.845 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' MET . . . . . 0.647 ' SD ' HD13 ' A' ' 212' ' ' ILE . 32.7 tpp -51.93 -58.45 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.855 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -39.95 60.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 65.22 110.885 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -61.39 -49.23 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 73.45 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.1 mm -59.83 -59.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 70.24 111.139 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 18.8 tt -54.68 -34.54 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 70.12 111.097 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.59 -58.81 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 60.21 110.908 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 64.04 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 57.4 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.869 0.366 . . . . 71.22 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.556 HD23 ' N ' ' A' ' 174' ' ' ASP . 1.5 tt -52.06 -48.73 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.927 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ASP . . . . . 0.739 ' O ' HG23 ' A' ' 178' ' ' VAL . 4.7 t70 -50.39 -52.2 39.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 71.23 110.85 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.3 -53.37 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.09 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 180' ' ' VAL . 96.7 t -55.32 -57.28 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.24 111.086 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 99.0 t -50.69 -37.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 74.03 111.164 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 174' ' ' ASP . 92.8 t -64.23 -63.46 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 63.23 111.143 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 179' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 183' ' ' ILE . 4.6 p -55.65 -39.25 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.16 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 176' ' ' VAL . 66.6 t -60.89 -46.88 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 72.1 111.174 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.439 ' CB ' HD11 ' A' ' 204' ' ' LEU . 0.1 OUTLIER -68.57 -41.46 79.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.853 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -55.34 -60.49 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.885 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 183' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 179' ' ' VAL . 3.5 tt -60.0 -45.32 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 74.31 111.09 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.423 ' N ' HG23 ' A' ' 183' ' ' ILE . 34.0 tp -58.61 -39.22 79.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 62.54 110.908 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' ASP . . . . . 0.474 ' OD1' HD23 ' A' ' 201' ' ' LEU . 2.3 t70 -63.93 -56.8 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 62.5 110.847 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.9 pt -61.07 -40.0 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 75.43 111.151 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 187' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 183' ' ' ILE . 24.3 t -58.4 -54.04 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.23 111.11 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -30.59 70.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 71.31 110.887 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.61 HD21 ' HB1' ' A' ' 136' ' ' ALA . 1.9 tm? -61.04 -49.71 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.935 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -80.75 -37.51 30.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.918 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -51.87 106.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 60.32 110.958 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 59.3 172.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 73.25 110.849 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -88.87 48.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 61.32 110.826 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -94.56 89.35 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.6 -30.58 21.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 72.43 110.851 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -50.01 -31.24 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.846 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -48.8 -32.94 9.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 62.04 111.089 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 1.5 mp -48.29 -34.68 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.914 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 199' ' ' GLY . . . . . 0.679 ' HA2' HD12 ' A' ' 202' ' ' ILE . . . -50.05 -36.54 28.09 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.761 -0.733 . . . . 74.32 112.5 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.506 ' HA ' HD21 ' A' ' 203' ' ' LEU . 4.5 mm? -57.23 -44.65 83.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 75.23 110.961 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.677 HD11 ' CB ' ' A' ' 143' ' ' SER . 2.9 tm? -66.99 -44.02 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 51.44 110.924 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 202' ' ' ILE . . . . . 0.679 HD12 ' HA2' ' A' ' 199' ' ' GLY . 7.8 mt -55.07 -58.26 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 72.43 111.153 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 204' ' ' LEU . 2.4 pp -58.68 -42.28 88.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 42.31 110.901 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 203' ' ' LEU . 0.0 OUTLIER -49.97 -60.63 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.951 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 205' ' ' ARG . . . . . 0.602 ' O ' HG12 ' A' ' 209' ' ' VAL . 14.5 ptm180 -63.0 -32.0 73.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 73.01 110.825 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 7.3 tt -56.6 -68.03 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 63.11 110.919 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -63.13 -33.07 74.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.916 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 208' ' ' ARG . . . . . 0.751 ' CG ' HD22 ' A' ' 147' ' ' LEU . 15.1 tpt180 -62.45 -68.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.866 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 209' ' ' VAL . . . . . 0.732 HG22 ' CD1' ' A' ' 213' ' ' ILE . 8.4 p -56.6 -34.68 42.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 53.54 111.153 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -67.32 -36.4 81.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 74.31 111.108 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -55.08 10.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 54.12 110.88 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 212' ' ' ILE . . . . . 0.647 HD13 ' SD ' ' A' ' 151' ' ' MET . 5.4 tp -56.54 -44.98 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.3 111.116 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 213' ' ' ILE . . . . . 0.732 ' CD1' HG22 ' A' ' 209' ' ' VAL . 78.0 mt -64.11 -60.29 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 73.42 111.169 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 214' ' ' ASN . . . . . 0.631 ' O ' HG23 ' A' ' 218' ' ' ILE . 11.0 t30 -51.94 -29.71 21.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.53 110.909 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.72 -54.32 10.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 70.31 112.496 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.0 tt -59.55 -33.86 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 64.02 111.116 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 217' ' ' ILE . . . . . 0.529 HG22 ' HE3' ' A' ' 221' ' ' LYS . 7.8 mm -68.58 -57.46 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.22 111.136 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 214' ' ' ASN . 29.4 pt -59.87 -29.53 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 72.12 111.17 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 58.3 m -76.49 -35.78 58.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 75.02 110.873 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 220' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 216' ' ' ILE . 42.4 t -77.45 -38.31 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 40.32 111.105 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 221' ' ' LYS . . . . . 0.529 ' HE3' HG22 ' A' ' 217' ' ' ILE . 7.8 ptpt -71.69 -36.81 70.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.52 110.899 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 9.9 t -72.78 -29.6 63.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.12 111.123 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 29.08 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.866 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.826 -179.77 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.82 0.343 . . . . 65.03 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 92' ' ' LEU . 23.0 t80 -71.73 -58.95 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 64.22 110.89 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -60.56 -25.36 66.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.877 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.91 -43.95 39.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 54.5 112.498 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 57.4 ttp -70.25 -38.86 75.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 72.11 110.832 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 88' ' ' PHE . 4.6 mt -69.07 -50.14 51.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 74.33 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -62.9 -44.72 95.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 65.02 110.878 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -38.74 89.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 70.55 110.898 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.67 -61.06 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.895 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.619 ' CE2' HG11 ' A' ' 103' ' ' VAL . 47.6 t80 -55.6 -48.28 75.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.2 110.891 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 t -59.47 -50.71 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 74.42 110.865 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 70.14 110.832 -179.784 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.855 0.36 . . . . 74.13 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 105' ' ' ILE . 5.5 tp60 -51.92 -45.77 64.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 72.11 110.933 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.619 HG11 ' CE2' ' A' ' 96' ' ' PHE . 64.7 t -59.73 -51.93 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.52 111.138 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.2 mt -57.94 -45.64 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 61.1 111.172 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.701 ' O ' HG23 ' A' ' 109' ' ' VAL . 9.7 mt -58.24 -64.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 64.45 111.132 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.2 mm -51.61 -55.91 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 74.51 111.107 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.2 m -51.94 -45.65 64.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.87 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.487 ' C ' HD13 ' A' ' 108' ' ' LEU . 3.1 tm? -62.47 -40.74 97.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.962 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 105' ' ' ILE . 74.3 t -60.34 -56.43 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 73.25 111.121 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.471 ' O ' HD23 ' A' ' 114' ' ' LEU . 7.5 p -64.45 -37.32 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 65.43 111.166 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.4 mt -65.05 -64.35 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 70.3 110.908 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 116' ' ' VAL . 35.8 t70 -53.26 -45.96 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 61.34 110.826 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.21 75.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 61.11 111.078 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 110' ' ' VAL . 2.5 mm? -59.9 -49.89 75.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.948 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.01 -59.77 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 34.25 110.867 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.583 HG22 ' NH1' ' A' ' 205' ' ' ARG . 66.8 t -52.68 -56.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 61.13 111.137 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.9 tp -54.16 -51.04 65.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.952 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.75 -52.71 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 73.31 111.093 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -63.42 -35.33 80.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 70.03 110.904 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.5 tp -63.82 -56.33 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 64.02 110.898 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 pt -63.05 -33.18 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 71.54 111.147 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -56.79 13.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 70.13 110.924 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.98 -34.98 77.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 72.43 110.845 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.16 -32.5 71.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 65.32 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -86.13 -32.94 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 63.33 110.869 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.13 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.744 0.307 . . . . 64.44 110.953 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 51.43 43.61 29.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 63.31 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.88 -75.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 70.14 110.898 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -76.39 -60.49 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 70.33 110.961 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.38 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 40.44 111.08 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.25 71.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.15 111.043 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -54.18 49.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 64.41 110.85 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 70.3 t -50.41 -56.19 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.44 111.115 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -56.98 -38.8 73.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' HIS . . . . . 0.436 ' HA ' HD21 ' A' ' 201' ' ' LEU . 3.4 t-80 -64.16 -53.88 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 75.51 110.86 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 145' ' ' THR . 3.3 m-30 -55.49 -39.71 70.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.929 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.7 ttt -68.38 -37.86 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 51.34 110.906 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.4 t -69.37 -46.77 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.832 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 148' ' ' VAL . 8.0 tp -65.79 -34.7 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 54.24 111.156 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 141' ' ' TYR . 11.7 p -68.43 -52.94 27.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.22 111.123 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.18 -34.24 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.2 111.129 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.613 HD11 ' HA ' ' A' ' 205' ' ' ARG . 11.8 mt -67.39 -59.96 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.916 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 144' ' ' ILE . 61.3 t -59.69 -40.27 81.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.11 111.149 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -60.05 -52.43 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.928 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.554 ' CD2' HG21 ' A' ' 212' ' ' ILE . 3.9 t80 -57.46 -55.52 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.32 110.894 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.35 -55.33 32.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 65.41 110.877 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 1.1 mmt -52.06 -41.95 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 63.45 110.861 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.13 -50.67 72.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.5 mm -56.59 -59.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 61.5 111.09 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.52 -34.9 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 65.04 111.139 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.03 -62.66 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 52.15 110.889 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 71.35 110.941 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.893 0.378 . . . . 74.41 111.159 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.548 ' O ' HG23 ' A' ' 177' ' ' VAL . 1.8 tt -58.66 -42.74 89.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 64.23 110.895 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ASP . . . . . 0.563 ' O ' HG23 ' A' ' 178' ' ' VAL . 82.8 m-20 -50.58 -51.02 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.894 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.754 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -55.68 -56.23 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 62.3 111.094 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 42.0 t -53.18 -52.61 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.11 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 173' ' ' LEU . 93.4 t -50.95 -47.57 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.42 111.087 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 174' ' ' ASP . 99.6 t -64.09 -34.0 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.157 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 179' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 175' ' ' ALA . 67.8 t -65.87 -47.36 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.34 111.128 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.57 -41.35 85.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 65.31 111.182 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.54 ' C ' HD21 ' A' ' 204' ' ' LEU . 5.4 p -68.15 -48.27 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.846 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 182' ' ' PHE . . . . . 0.529 ' CE1' HD13 ' A' ' 186' ' ' ILE . 35.0 t80 -61.13 -50.1 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.891 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 187' ' ' VAL . 94.0 mt -61.1 -46.84 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.21 111.195 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.7 -39.96 74.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 70.41 110.884 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 185' ' ' ASP . . . . . 0.594 ' HA ' HD22 ' A' ' 200' ' ' LEU . 66.0 t0 -65.0 -57.44 8.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 71.32 110.842 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.529 HD13 ' CE1' ' A' ' 182' ' ' PHE . 25.8 pt -59.72 -36.6 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 63.14 111.161 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 187' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 183' ' ' ILE . 23.5 t -62.37 -54.46 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 73.21 111.117 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.407 HD22 HD11 ' A' ' 200' ' ' LEU . 0.2 OUTLIER -63.92 -28.76 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 64.51 110.951 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' A' ' 197' ' ' ALA . 18.1 tp -66.19 -49.8 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 60.01 110.87 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -77.38 -34.89 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.85 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -90.1 -166.62 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 71.03 110.924 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 68.22 -80.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 74.31 110.917 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.67 34.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.877 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 58.16 174.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 63.12 110.914 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 2.9 t80 59.44 171.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 73.22 110.81 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 51.06 35.01 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 73.54 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.68 ' HB3' HD13 ' A' ' 189' ' ' LEU . . . -113.31 -33.72 5.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 61.53 111.115 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.601 HD22 ' H ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -49.16 -35.75 17.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.943 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -50.01 -50.51 32.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 62.51 112.507 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.594 HD22 ' HA ' ' A' ' 185' ' ' ASP . 0.3 OUTLIER -51.77 -43.19 62.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 64.31 110.938 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' ' 140' ' ' HIS . 12.3 tp -63.27 -41.8 99.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.943 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 202' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 198' ' ' LEU . 1.6 mp -60.79 -62.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.194 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 200' ' ' LEU . 0.3 OUTLIER -52.23 -37.68 55.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 70.21 110.931 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 200' ' ' LEU . 3.2 mp -59.57 -56.95 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 72.32 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 205' ' ' ARG . . . . . 0.613 ' HA ' HD11 ' A' ' 147' ' ' LEU . 54.9 ttp180 -61.43 -37.67 84.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.881 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 26.2 mt -58.62 -47.48 84.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 54.32 110.916 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -64.17 -53.1 54.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.897 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 208' ' ' ARG . . . . . 0.596 ' HB3' HD22 ' A' ' 147' ' ' LEU . 3.5 mmt-85 -58.13 -61.6 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.891 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 209' ' ' VAL . . . . . 0.644 ' HA ' HD12 ' A' ' 212' ' ' ILE . 82.9 t -49.09 -56.32 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 71.33 111.11 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.45 -54.69 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 22.04 111.089 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -55.8 -46.41 78.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.15 110.869 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 212' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 209' ' ' VAL . 18.2 mt -54.56 -69.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 65.41 111.169 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 213' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 213' ' ' ILE . 4.0 mp -52.83 -58.78 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 72.22 111.13 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -50.09 -28.79 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.831 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -74.28 -48.93 13.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 62.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.4 tt -67.58 -34.51 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 75.15 111.104 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 13.7 mm -72.34 -49.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 55.55 111.104 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 7.6 tt -64.33 -32.82 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 51.1 111.136 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 8.9 t -77.57 -35.15 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 74.33 110.829 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 220' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 216' ' ' ILE . 18.6 t -77.14 -36.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 61.41 111.114 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -76.14 -36.46 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.54 110.938 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 7.2 t -73.18 -30.93 63.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 65.45 111.13 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -102.57 -74.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.51 110.907 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.886 -179.797 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.801 0.334 . . . . 74.42 110.819 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' A' ' 92' ' ' LEU . 26.7 t80 -71.84 -58.4 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 65.4 110.913 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.822 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -53.24 -36.73 61.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 63.23 110.85 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.34 -43.68 94.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 62.21 112.488 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.454 ' O ' HD23 ' A' ' 95' ' ' LEU . 10.2 tmm? -64.81 -38.88 92.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 73.43 110.9 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.822 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.2 mt -65.53 -53.79 37.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.14 110.909 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -58.97 -41.9 88.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 62.15 110.853 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -66.48 -37.66 85.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.953 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 91' ' ' MET . 1.4 mm? -64.39 -52.71 56.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 51.11 110.89 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.97 -38.23 90.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 51.32 110.828 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.4 m -61.38 -53.29 58.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.84 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 70.52 110.841 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CD1' HG12 ' A' ' 220' ' ' VAL . 15.4 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.833 0.349 . . . . 63.53 110.926 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.504 ' HA ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -52.05 -57.58 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 70.14 110.934 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.63 -47.94 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 72.21 111.122 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 101' ' ' PHE . 42.1 mt -56.81 -46.93 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.151 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.877 HD11 HG11 ' A' ' 220' ' ' VAL . 7.4 mt -59.18 -63.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 71.34 111.088 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 110' ' ' VAL . 25.3 pt -53.58 -33.38 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 70.22 111.136 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.83 -57.78 9.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.852 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.6 tp -61.34 -45.1 95.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.01 110.918 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 105' ' ' ILE . 97.4 t -53.48 -55.73 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.12 111.087 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 106' ' ' ILE . 99.6 t -61.8 -49.89 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 70.12 111.099 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.07 -57.81 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 71.52 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 116' ' ' VAL . 1.2 t70 -63.72 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 73.1 110.897 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.14 -52.91 60.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 61.32 111.134 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.59 -32.34 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 61.52 110.925 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 146' ' ' ILE . 0.7 OUTLIER -69.31 -56.19 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.889 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 112' ' ' ASP . 92.6 t -62.15 -44.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 64.05 111.151 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.38 -54.2 46.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.126 -0.488 . . . . 70.44 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.91 -53.27 55.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 23.01 111.103 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.71 -36.05 79.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.874 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -56.56 20.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 75.35 110.882 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.7 pt -64.76 -34.12 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.121 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -53.88 53.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 65.23 110.946 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -74.47 -36.09 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 61.33 110.856 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.97 -35.89 71.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 75.2 110.946 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -50.93 43.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 63.41 110.926 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.69 HG23 ' O ' ' A' ' 126' ' ' ILE . 6.6 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 71.12 111.158 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.769 0.318 . . . . 71.01 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 51.64 79.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 55.24 110.86 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.38 -169.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.893 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.451 ' O ' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -51.6 -36.03 43.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.985 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.33 -52.17 55.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 74.42 111.125 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.11 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 34.11 111.115 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.59 -54.24 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.886 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 134' ' ' TYR . 72.2 t -60.26 -56.13 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 51.41 111.131 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -52.63 -50.91 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 70.43 110.902 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' HIS . . . . . 0.792 ' CE1' HD13 ' A' ' 201' ' ' LEU . 29.9 t60 -56.75 -53.13 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 53.45 110.838 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.462 ' O ' HG23 ' A' ' 145' ' ' THR . 0.2 OUTLIER -52.38 -41.9 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 73.54 110.923 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -37.6 85.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 74.24 110.914 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.602 ' CB ' HD21 ' A' ' 201' ' ' LEU . 0.6 OUTLIER -69.11 -49.99 52.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.886 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 148' ' ' VAL . 8.0 tp -62.68 -35.92 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 72.51 111.141 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 141' ' ' TYR . 13.9 p -67.41 -55.05 15.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.41 111.107 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.498 HG21 HD11 ' A' ' 115' ' ' LEU . 32.1 mm -58.15 -39.87 74.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 75.54 111.122 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 205' ' ' ARG . 26.4 tp -63.86 -56.76 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.873 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.656 HG22 HG11 ' A' ' 178' ' ' VAL . 92.9 t -59.7 -54.87 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.128 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -51.72 -54.29 29.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 60.42 110.828 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -54.17 -43.94 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 70.52 110.842 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -56.64 18.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 71.11 110.848 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -42.43 70.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 65.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -58.35 -61.38 2.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.838 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.0 mm -51.58 -60.2 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.128 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 43.7 mm -51.32 -44.33 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.01 111.158 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -54.36 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 70.33 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.898 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 51.3 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.848 0.356 . . . . 74.01 111.117 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.1 tt -54.9 -53.49 54.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 62.2 110.949 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ASP . . . . . 0.599 ' N ' HD23 ' A' ' 173' ' ' LEU . 1.0 OUTLIER -51.56 -47.65 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.841 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -52.91 -56.85 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.166 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.564 ' O ' HG23 ' A' ' 180' ' ' VAL . 22.1 t -57.02 -39.71 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.135 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 173' ' ' LEU . 97.3 t -56.87 -64.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 64.33 111.139 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' VAL . . . . . 0.656 HG11 HG22 ' A' ' 148' ' ' VAL . 31.6 m -55.47 -33.43 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 63.53 111.128 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 179' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 175' ' ' ALA . 41.9 t -66.1 -59.93 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.159 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 176' ' ' VAL . 60.5 t -54.62 -34.23 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 71.24 111.103 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 19.7 m -68.2 -51.28 47.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 63.03 110.852 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 182' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 186' ' ' ILE . 31.1 t80 -55.36 -51.62 66.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 71.11 110.868 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 183' ' ' ILE . . . . . 0.49 ' O ' HG23 ' A' ' 187' ' ' VAL . 1.0 OUTLIER -62.32 -40.63 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 51.21 111.105 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.45 -53.04 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.933 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.73 -56.72 17.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.11 110.852 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 182' ' ' PHE . 18.4 pt -59.49 -34.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 65.22 111.121 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 187' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 183' ' ' ILE . 2.0 t -59.84 -53.18 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 70.44 111.136 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.404 ' N ' HG12 ' A' ' 187' ' ' VAL . 73.8 mt -65.68 -32.95 74.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.904 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 197' ' ' ALA . 1.3 tp -60.42 -50.25 74.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 70.43 110.884 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -70.91 -35.13 72.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 70.54 110.89 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -61.61 -165.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 73.42 110.916 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -92.42 25.96 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 65.45 110.893 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -95.9 44.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 74.51 110.865 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -45.14 131.63 7.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.946 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 7.6 t80 63.66 35.5 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.05 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.66 30.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.905 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.466 ' HB3' HD12 ' A' ' 189' ' ' LEU . . . -118.72 -48.33 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 73.12 111.071 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 15.0 mt -51.2 -34.76 33.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 65.32 110.899 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -48.83 -44.95 31.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 44.4 112.534 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.557 ' HA ' HD21 ' A' ' 203' ' ' LEU . 4.5 mm? -49.37 -45.09 45.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 71.2 110.948 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.792 HD13 ' CE1' ' A' ' 140' ' ' HIS . 9.6 tp -67.51 -43.18 81.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 53.41 110.942 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 14.9 mm -56.66 -58.28 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.118 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 200' ' ' LEU . 0.9 OUTLIER -56.55 -45.55 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 54.13 110.909 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.725 HD13 ' HE1' ' A' ' 207' ' ' TRP . 0.8 OUTLIER -50.6 -60.71 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 62.34 110.923 179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 205' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 209' ' ' VAL . 0.0 OUTLIER -61.95 -34.29 75.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.897 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 26.0 tp -55.94 -70.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 207' ' ' TRP . . . . . 0.725 ' HE1' HD13 ' A' ' 204' ' ' LEU . 11.2 p-90 -59.31 -32.56 70.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 64.54 110.885 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -61.41 -75.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 74.23 110.834 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 209' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 205' ' ' ARG . 19.5 m -51.9 -33.05 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 71.21 111.113 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -59.84 -69.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 74.23 111.086 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -41.6 59.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.888 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 31.5 mm -60.15 -74.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 62.33 111.12 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 213' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 209' ' ' VAL . 4.4 mt -50.43 -59.46 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 62.02 111.115 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -50.6 -36.8 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 63.23 110.91 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -65.28 -42.95 95.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.796 -0.716 . . . . 41.43 112.457 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.586 ' O ' HG13 ' A' ' 220' ' ' VAL . 0.4 OUTLIER -67.79 -32.98 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 75.24 111.102 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 217' ' ' ILE . . . . . 0.403 HG22 ' HE2' ' A' ' 221' ' ' LYS . 36.7 mm -71.56 -41.22 72.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 62.21 111.14 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.409 ' HA ' ' HG2' ' A' ' 221' ' ' LYS . 19.9 tt -74.25 -27.93 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 60.13 111.119 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 28.4 t -77.13 -35.84 55.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.863 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 220' ' ' VAL . . . . . 0.877 HG11 HD11 ' A' ' 105' ' ' ILE . 35.8 m -78.57 -39.46 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 61.22 111.1 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 221' ' ' LYS . . . . . 0.409 ' HG2' ' HA ' ' A' ' 218' ' ' ILE . 6.9 ptpt -69.83 -36.72 75.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 64.54 110.901 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 7.5 t -74.32 -30.94 62.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 70.44 111.168 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.48 135.15 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.832 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 62.54 110.859 -179.839 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.833 0.349 . . . . 70.22 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.651 ' CE1' HD23 ' A' ' 92' ' ' LEU . 5.6 t80 -56.19 -48.0 77.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 73.42 110.845 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.554 ' HA ' HD21 ' A' ' 92' ' ' LEU . 6.7 mpt_? -59.21 -29.55 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.864 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.25 -51.2 7.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 44.11 112.498 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.6 ptm -57.47 -42.57 82.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 51.31 110.861 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 93' ' ' ARG . 4.7 pp -74.16 -35.73 64.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 74.41 110.889 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.666 ' N ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -60.0 -47.16 86.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.832 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -34.32 57.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.23 -50.26 73.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.587 ' HD1' HD11 ' A' ' 104' ' ' ILE . 0.2 OUTLIER -76.06 -49.18 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.892 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.0 t -52.3 -36.17 52.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.855 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 22.41 110.852 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.563 ' HA ' HD12 ' A' ' 104' ' ' ILE . 73.8 t80 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.837 0.351 . . . . 74.33 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -55.9 -56.14 24.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 64.11 110.935 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.5 t -52.03 -46.9 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 63.4 111.139 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.587 HD11 ' HD1' ' A' ' 96' ' ' PHE . 33.1 mt -55.59 -60.84 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.21 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.9 mm -53.01 -59.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 73.3 111.164 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.6 mm -51.5 -36.37 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 63.21 111.157 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.401 ' HA ' HG12 ' A' ' 110' ' ' VAL . 3.6 m -69.89 -34.35 73.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 61.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.65 -48.01 50.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 61.1 110.935 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 110' ' ' VAL . 19.5 m -63.36 -42.94 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 54.14 111.118 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.431 ' N ' HG23 ' A' ' 109' ' ' VAL . 8.8 p -70.29 -33.5 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 53.31 111.142 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.406 HD22 ' CG2' ' A' ' 146' ' ' ILE . 11.6 mt -66.22 -55.75 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.926 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.48 ' O ' HG23 ' A' ' 116' ' ' VAL . 1.2 m-20 -63.57 -41.31 98.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.87 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.38 89.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 61.35 111.112 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 110' ' ' VAL . 3.0 mm? -63.74 -47.08 82.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.93 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.83 -59.77 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.932 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 112' ' ' ASP . 85.2 t -52.57 -56.02 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 65.24 111.149 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.2 tt -53.82 -47.33 70.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 73.11 110.932 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.2 -47.51 68.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 63.12 111.123 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -62.77 -43.6 98.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.72 -56.62 18.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 73.3 110.942 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.3 pt -63.1 -33.48 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.13 111.111 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.31 -54.66 44.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.921 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -66.75 -47.72 71.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.24 110.881 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.2 mp -57.52 -31.32 65.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 54.41 110.943 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.502 ' HB3' HD12 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -69.51 -50.64 43.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.862 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.502 HD12 ' HB3' ' A' ' 125' ' ' LYS . 3.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.197 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 135' ' ' ALA . 13.0 mtmt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.766 0.317 . . . . 62.32 110.938 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 65.06 35.17 8.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 54.1 110.877 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.5 t30 179.31 -80.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 70.35 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -78.24 -60.96 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 43.23 110.94 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 131' ' ' LYS . . . -57.94 -52.15 66.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 72.21 111.094 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -54.88 -44.36 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.51 111.075 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -53.49 57.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.885 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.31 -56.34 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 55.31 111.102 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -51.95 -51.46 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 73.43 110.865 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' HIS . . . . . 0.54 ' CG ' HD23 ' A' ' 201' ' ' LEU . 26.4 m170 -62.83 -48.27 79.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.874 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -51.82 -54.32 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.914 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.1 ttp -62.08 -38.71 89.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 74.52 110.881 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.705 ' HB3' HD11 ' A' ' 201' ' ' LEU . 1.9 t -63.87 -67.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 64.43 110.849 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 145' ' ' THR . 2.5 pp -50.84 -36.45 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 74.41 111.143 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.427 ' N ' HD12 ' A' ' 144' ' ' ILE . 11.2 m -60.8 -55.77 29.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 61.04 111.135 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.406 ' CG2' HD22 ' A' ' 111' ' ' LEU . 39.2 mm -65.56 -48.59 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.02 111.137 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.1 tp -54.68 -59.9 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 64.52 110.945 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.07 -37.67 69.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 73.5 111.131 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -54.9 -62.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.939 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.7 -42.06 87.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.88 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -59.46 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.901 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 2.2 ttt -57.45 -37.13 72.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 71.52 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -52.48 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.3 110.874 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 49.7 mm -64.19 -56.55 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 65.32 111.106 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 80.9 mt -51.77 -60.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 61.52 111.154 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -51.96 -49.76 62.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.888 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 52.34 110.888 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 51.4 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.889 0.376 . . . . 71.42 111.149 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 177' ' ' VAL . 1.8 tt -57.07 -51.82 67.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.89 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ASP . . . . . 0.724 ' O ' HG23 ' A' ' 178' ' ' VAL . 1.4 m-20 -50.65 -51.56 47.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.859 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -51.85 -54.15 32.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.43 111.086 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 92.7 t -60.1 -39.18 79.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 60.33 111.11 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 173' ' ' LEU . 91.5 t -66.68 -34.41 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.52 111.135 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 174' ' ' ASP . 92.6 t -70.36 -52.75 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 72.51 111.13 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' VAL . . . . . 0.612 HG22 HD12 ' A' ' 183' ' ' ILE . 4.3 p -58.14 -44.84 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.116 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 184' ' ' LEU . 8.9 p -68.62 -33.04 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 63.55 111.127 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.464 ' C ' HD21 ' A' ' 204' ' ' LEU . 0.4 OUTLIER -64.19 -53.64 46.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 44.02 110.85 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -62.78 -49.13 76.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 73.42 110.855 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 183' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 179' ' ' VAL . 88.3 mt -57.76 -55.88 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 65.03 111.126 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.582 ' CD1' HG22 ' A' ' 180' ' ' VAL . 52.8 mt -57.32 -35.38 69.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.887 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' ASP . . . . . 0.531 ' O ' HD13 ' A' ' 200' ' ' LEU . 6.0 t70 -61.02 -56.98 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 52.11 110.835 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 14.1 pt -65.92 -41.57 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 52.44 111.154 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 187' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 183' ' ' ILE . 46.9 t -54.5 -53.94 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 65.14 111.124 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.757 ' HB3' HD11 ' A' ' 200' ' ' LEU . 0.0 OUTLIER -69.89 -32.07 70.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.918 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 197' ' ' ALA . 1.2 tp -55.33 -50.79 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 43.43 110.926 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -81.02 -25.38 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.899 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -49.46 -71.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 54.45 110.887 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -85.59 -28.87 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.85 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.24 32.22 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.02 110.853 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -178.36 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.873 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -52.03 -26.91 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.54 110.855 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.29 -34.42 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 64.14 110.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 200' ' ' LEU . . . -51.05 -54.47 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 52.52 111.087 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 202' ' ' ILE . 4.3 mp -51.13 -40.16 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.942 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -51.48 -48.71 48.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 72.13 112.528 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.757 HD11 ' HB3' ' A' ' 188' ' ' LEU . 3.4 mt -51.02 -41.26 59.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 73.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 143' ' ' SER . 0.2 OUTLIER -67.42 -48.15 68.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.928 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 202' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 198' ' ' LEU . 1.4 mp -52.58 -59.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.141 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.631 HD13 ' CH2' ' A' ' 207' ' ' TRP . 1.2 pp -56.62 -44.41 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 63.24 110.891 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 203' ' ' LEU . 1.6 mp -50.98 -61.04 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 60.22 110.938 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 205' ' ' ARG . . . . . 0.565 ' O ' HG22 ' A' ' 209' ' ' VAL . 0.1 OUTLIER -58.7 -35.44 72.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.25 110.916 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 206' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 210' ' ' ALA . 1.6 tt -59.2 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 51.45 110.966 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 207' ' ' TRP . . . . . 0.631 ' CH2' HD13 ' A' ' 203' ' ' LEU . 29.1 m0 -61.22 -46.88 88.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.42 110.951 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 208' ' ' ARG . . . . . 0.546 ' NH2' HG11 ' A' ' 177' ' ' VAL . 0.0 OUTLIER -56.57 -68.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.886 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 209' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 205' ' ' ARG . 17.0 m -51.33 -32.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 54.22 111.126 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 210' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 206' ' ' LEU . . . -60.08 -68.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.44 111.079 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -51.38 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.914 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 42.6 mm -52.87 -69.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.02 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 49.1 mt -50.15 -59.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.121 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 214' ' ' ASN . . . . . 0.402 ' O ' HG22 ' A' ' 218' ' ' ILE . 5.6 t30 -49.69 -29.16 6.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.03 110.888 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -73.83 -49.87 12.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 75.32 112.476 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.2 tt -66.92 -35.4 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 73.31 111.102 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 217' ' ' ILE . . . . . 0.685 HG22 ' CE ' ' A' ' 221' ' ' LYS . 12.0 mm -70.52 -51.57 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 71.35 111.14 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 214' ' ' ASN . 13.8 tt -64.1 -31.0 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 71.43 111.12 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 25.7 t -76.85 -34.99 57.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.861 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 220' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 216' ' ' ILE . 38.0 t -77.96 -44.11 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 52.24 111.129 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 221' ' ' LYS . . . . . 0.685 ' CE ' HG22 ' A' ' 217' ' ' ILE . 3.7 ptpt -66.32 -37.86 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 60.43 110.888 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.1 t -73.36 -30.4 63.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 64.22 111.164 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -125.53 90.12 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.02 110.901 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 52.31 110.887 -179.824 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.854 0.359 . . . . 74.0 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 92' ' ' LEU . 33.3 t80 -70.98 -53.99 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.842 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.817 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.2 mmt180 -51.72 -37.81 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 71.24 110.89 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.21 -42.57 97.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 73.33 112.503 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.5 ttm -66.51 -38.21 86.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 73.14 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 89' ' ' ARG . 6.4 mt -65.42 -53.35 44.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.898 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -45.84 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.2 110.864 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -64.94 -35.82 82.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 63.11 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.68 -59.95 3.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 62.25 110.913 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.71 -51.16 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.863 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.6 m -53.27 -54.88 29.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 62.01 110.855 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 60.54 110.837 -179.822 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.422 ' C ' HD12 ' A' ' 105' ' ' ILE . 1.4 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 63.21 110.831 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.18 -34.88 33.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 64.02 110.931 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.7 t -64.17 -64.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 64.23 111.184 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.4 pt -55.21 -34.86 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.03 111.14 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 109' ' ' VAL . 29.6 mt -70.12 -67.55 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 60.13 111.128 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 110' ' ' VAL . 50.4 mt -51.4 -39.91 22.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 65.42 111.119 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.6 t -66.3 -49.59 66.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 53.31 110.883 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.48 -35.96 80.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.951 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 105' ' ' ILE . 98.7 t -66.96 -51.67 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 45.41 111.182 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 106' ' ' ILE . 93.9 t -58.75 -52.1 64.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 74.42 111.172 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -59.43 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.935 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 116' ' ' VAL . 31.1 t70 -52.1 -44.53 64.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.898 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.03 77.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 63.41 111.148 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -50.7 73.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.905 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -59.66 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 112' ' ' ASP . 91.2 t -51.99 -51.17 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 71.4 111.147 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 24.6 tp -51.88 -55.31 20.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.934 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.91 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 22.33 111.133 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.0 -35.82 79.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 61.34 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.89 -56.49 11.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 73.44 110.905 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 21.4 pt -59.97 -34.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 75.02 111.087 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.01 -56.8 5.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 71.11 110.916 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -58.43 -47.3 84.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 73.53 110.852 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.95 -45.16 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.912 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -54.83 -32.55 60.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.883 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.1 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 53.45 111.128 179.852 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.562 ' HG2' ' HB2' ' A' ' 135' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.857 0.361 . . . . 71.41 110.888 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.2 m120 56.98 42.95 25.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 63.51 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.67 -64.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 63.1 110.86 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.91 -56.81 4.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 74.12 110.923 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.562 ' HB2' ' HG2' ' A' ' 131' ' ' LYS . . . -51.46 -52.28 47.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 75.25 111.105 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.4 96.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 64.05 111.1 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -53.95 49.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.875 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.0 t -63.71 -52.18 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.1 111.096 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -51.72 -50.89 59.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 72.42 110.897 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -60.42 -50.82 72.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 73.44 110.83 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.23 -48.4 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.982 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -50.57 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 73.12 110.863 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.702 ' CB ' HD11 ' A' ' 201' ' ' LEU . 1.8 t -52.52 -47.76 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 42.31 110.878 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.597 HG23 ' HB ' ' A' ' 178' ' ' VAL . 41.0 mm -60.41 -49.54 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 75.02 111.081 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 10.4 m -52.68 -46.61 67.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 62.42 111.157 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 43.2 mm -64.74 -45.23 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.32 111.129 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 205' ' ' ARG . 7.1 mt -53.58 -57.91 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 74.03 110.927 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.663 ' CG2' HG11 ' A' ' 178' ' ' VAL . 60.0 t -58.72 -49.13 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 62.23 111.084 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -51.95 -55.63 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.51 110.904 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.577 ' HE2' HD11 ' A' ' 154' ' ' ILE . 1.0 OUTLIER -56.54 -43.93 80.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.883 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -59.13 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 63.3 110.835 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -41.34 76.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 62.52 110.919 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -54.46 -50.42 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 70.42 110.896 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.577 HD11 ' HE2' ' A' ' 150' ' ' PHE . 43.5 mm -64.15 -55.92 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 54.55 111.153 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 43.5 mm -52.01 -37.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 74.33 111.112 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.17 -59.92 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.907 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 73.51 110.889 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 176' ' ' VAL . 9.7 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.819 0.343 . . . . 62.41 111.124 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.5 tm? -52.58 -62.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.902 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -46.65 65.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.862 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.687 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -54.97 -56.56 18.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.24 111.129 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 172' ' ' ILE . 47.2 t -54.72 -37.47 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 65.24 111.125 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 173' ' ' LEU . 89.5 t -60.78 -59.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 74.32 111.075 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' VAL . . . . . 0.663 HG11 ' CG2' ' A' ' 148' ' ' VAL . 32.4 m -60.2 -27.3 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.147 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 179' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 175' ' ' ALA . 41.6 t -66.37 -60.61 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 75.31 111.164 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 22.8 m -60.52 -40.87 85.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 71.11 111.161 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.441 ' HB2' HD11 ' A' ' 204' ' ' LEU . 0.8 OUTLIER -62.91 -52.5 62.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 42.53 110.888 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 182' ' ' PHE . . . . . 0.431 ' CE2' HD13 ' A' ' 186' ' ' ILE . 79.7 t80 -55.47 -45.61 76.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 72.42 110.861 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 183' ' ' ILE . . . . . 0.668 HD13 HD11 ' A' ' 186' ' ' ILE . 26.2 mm -58.84 -46.94 90.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 71.03 111.135 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.0 -42.54 85.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.947 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 185' ' ' ASP . . . . . 0.495 ' OD1' HD12 ' A' ' 200' ' ' LEU . 2.5 m-20 -60.45 -58.25 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 75.04 110.863 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.668 HD11 HD13 ' A' ' 183' ' ' ILE . 15.5 pt -60.03 -40.89 84.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 70.43 111.108 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 183' ' ' ILE . 21.1 t -58.54 -43.16 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.51 111.149 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -36.27 80.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.882 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 197' ' ' ALA . 22.1 tp -60.99 -50.06 74.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 61.13 110.937 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.51 -25.89 59.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 63.24 110.856 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.05 -69.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.884 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -179.61 -34.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 75.52 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -77.3 57.92 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.885 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -55.92 169.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.933 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 5.3 t80 70.82 -69.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.876 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.46 -25.02 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' A' ' 189' ' ' LEU . . . -48.07 -37.99 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 75.53 111.071 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 59.3 mt -48.81 -35.83 15.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 199' ' ' GLY . . . . . 0.746 ' HA2' HD12 ' A' ' 202' ' ' ILE . . . -51.65 -44.94 54.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 72.13 112.513 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.567 ' HA ' HD21 ' A' ' 203' ' ' LEU . 0.4 OUTLIER -48.84 -49.97 36.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 60.4 110.9 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.702 HD11 ' CB ' ' A' ' 143' ' ' SER . 3.3 tm? -65.58 -36.66 84.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 63.31 110.93 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 202' ' ' ILE . . . . . 0.746 HD12 ' HA2' ' A' ' 199' ' ' GLY . 21.7 mt -63.87 -58.56 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 62.42 111.088 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 200' ' ' LEU . 1.8 pp -54.89 -38.34 67.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.874 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 204' ' ' LEU . . . . . 0.553 HD22 HD12 ' A' ' 203' ' ' LEU . 0.3 OUTLIER -62.82 -48.1 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 71.53 110.896 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 205' ' ' ARG . . . . . 0.736 ' HA ' HD11 ' A' ' 147' ' ' LEU . 48.7 ttp180 -58.61 -47.88 82.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.865 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -57.95 6.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 72.15 110.892 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 207' ' ' TRP . . . . . 0.424 ' CE3' HD13 ' A' ' 204' ' ' LEU . 8.5 t90 -52.05 -45.64 64.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 64.11 110.906 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 208' ' ' ARG . . . . . 0.445 ' CG ' HD22 ' A' ' 147' ' ' LEU . 4.8 tpm_? -61.07 -64.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 73.2 110.864 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 209' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 205' ' ' ARG . 88.0 t -50.18 -58.07 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.143 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.64 -44.77 47.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 73.23 111.079 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -59.36 -50.33 74.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 74.53 110.875 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 45.7 mm -54.18 -61.7 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.111 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 213' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 209' ' ' VAL . 3.7 mp -56.4 -59.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.105 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 214' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 218' ' ' ILE . 65.8 t30 -50.32 -28.56 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.862 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -73.76 -49.14 14.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 63.25 112.507 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 213' ' ' ILE . 0.0 OUTLIER -67.59 -34.13 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 54.42 111.181 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 217' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 213' ' ' ILE . 14.8 mm -71.36 -51.34 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.141 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 218' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 214' ' ' ASN . 8.4 tt -64.32 -32.37 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 60.15 111.119 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 39.3 t -76.88 -33.58 57.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.881 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 220' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 216' ' ' ILE . 9.4 t -76.34 -44.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 64.43 111.166 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -68.45 -37.47 80.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 65.24 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.14 -30.08 63.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 64.44 111.159 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -130.39 79.24 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 73.14 110.853 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 54.32 110.865 -179.785 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.958 0.409 . . . . 42.43 110.81 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -117.19 152.78 34.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 63.1 110.833 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.5 tpt 54.53 40.91 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 64.03 110.908 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -173.68 61.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 71.15 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 85' ' ' PRO . . . -174.06 160.3 2.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.562 0.696 . . . . 63.14 111.129 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 84' ' ' ALA . 53.5 Cg_endo -69.77 171.18 14.94 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.658 2.239 . . . . 75.11 112.33 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 86' ' ' LEU . 2.5 pp -159.02 -38.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.14 110.912 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.57 -35.69 20.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 70.23 110.894 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.743 ' CE2' HD11 ' A' ' 92' ' ' LEU . 25.1 t80 -71.65 -58.38 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.902 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.764 ' HA ' HD12 ' A' ' 92' ' ' LEU . 6.2 mpt_? -52.75 -38.13 60.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.44 110.854 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.34 -40.27 97.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 52.34 112.473 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.3 ttp -67.71 -39.12 84.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 74.51 110.856 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.764 HD12 ' HA ' ' A' ' 89' ' ' ARG . 7.1 mt -65.2 -53.39 45.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 65.43 110.909 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -44.76 95.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 74.02 110.842 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -66.34 -35.86 81.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.903 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.27 -55.96 17.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 43.41 110.914 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.3 -53.18 60.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.833 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -52.49 -51.91 57.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.802 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.0 p -56.41 -50.33 71.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.859 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -59.79 -36.23 76.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 51.24 110.874 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -95.37 39.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 70.31 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.81 -50.88 43.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 64.12 110.864 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -58.11 -42.14 85.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 54.02 110.931 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.06 -35.21 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 75.35 111.118 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 mm -70.67 -58.65 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 45.25 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 109' ' ' VAL . 10.5 tt -52.77 -42.98 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.099 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 110' ' ' VAL . 30.7 mm -68.98 -47.21 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 64.51 111.136 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.403 ' O ' HD23 ' A' ' 111' ' ' LEU . 36.2 t -58.95 -35.78 73.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 63.4 110.898 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -51.79 19.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.917 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 105' ' ' ILE . 89.7 t -56.16 -37.33 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 61.53 111.144 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 106' ' ' ILE . 94.3 t -72.77 -52.79 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 71.45 111.106 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 107' ' ' CYS . 2.4 mm? -53.44 -46.15 69.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 54.11 110.912 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.53 -53.63 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.859 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.86 -43.64 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.121 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.66 -49.71 61.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 43.24 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -53.25 58.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.4 110.941 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 64.7 t -59.57 -56.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 65.23 111.154 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.97 -55.28 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.25 110.916 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.11 -47.08 65.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 73.52 111.085 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.46 -34.27 75.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.935 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.9 tp -66.82 -56.77 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 61.42 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.9 pt -59.42 -34.17 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 64.25 111.146 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.31 -36.32 61.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 64.51 110.932 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -70.4 -36.28 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.898 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.599 ' O ' HD13 ' A' ' 127' ' ' ILE . 0.3 OUTLIER -53.75 -38.68 64.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 50.11 110.911 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -32.84 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 63.33 110.905 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 128' ' ' GLN . 37.2 mm -77.79 -28.57 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 71.54 111.119 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.599 HD13 ' O ' ' A' ' 124' ' ' LEU . 19.2 mm 72.79 -61.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 71.41 111.156 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.523 ' O ' HG22 ' A' ' 126' ' ' ILE . 12.4 mt-30 -142.07 158.46 61.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.637 0.732 . . . . 45.24 110.929 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 105.11 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.252 . . . . 73.21 112.385 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -122.73 38.25 4.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 32.13 110.874 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.9 -71.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 71.54 110.932 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.405 ' C ' HD11 ' A' ' 189' ' ' LEU . 2.3 m-80 51.73 71.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.867 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.59 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.861 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.45 -60.46 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 71.15 110.921 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.61 -52.18 60.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 54.21 111.085 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.66 74.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 73.51 111.107 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -54.79 33.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 22.2 m -67.64 -30.02 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 73.42 111.172 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -67.61 -50.89 55.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.54 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -66.16 -49.08 68.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 71.52 110.87 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.433 ' O ' HG23 ' A' ' 145' ' ' THR . 2.7 m-85 -57.05 -51.23 70.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 64.22 110.902 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -32.78 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 54.23 110.897 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.765 ' HB3' HD11 ' A' ' 201' ' ' LEU . 10.1 m -67.95 -64.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.855 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.617 HG21 ' CD2' ' A' ' 182' ' ' PHE . 2.0 pp -51.68 -40.81 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.14 111.144 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 141' ' ' TYR . 15.4 p -60.52 -60.79 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 74.14 111.166 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 35.1 mm -57.98 -35.09 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 63.13 111.124 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.63 HD11 ' HA ' ' A' ' 205' ' ' ARG . 2.6 mt -61.0 -65.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 73.53 110.884 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.22 -47.6 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 70.3 111.111 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -51.85 -58.89 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.865 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -59.46 -36.33 75.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 72.43 110.875 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -59.3 5.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 73.45 110.877 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.33 -35.9 81.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 75.32 110.888 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -56.37 -48.46 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.922 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.0 mm -72.61 -53.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.53 111.102 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 47.1 mt -51.66 -35.64 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.43 111.143 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -78.24 -51.29 10.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.843 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -54.28 -36.55 63.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 70.34 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.03 104.52 4.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 75.32 110.881 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -99.56 167.45 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.32 110.868 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 24.6 t -110.87 -69.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 75.11 111.127 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -124.85 -71.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 75.54 110.851 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.07 93.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 72.15 110.865 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.19 111.34 1.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 54.2 -170.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 72.23 110.903 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -87.37 -43.22 12.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.934 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -52.69 168.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 70.32 110.855 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -101.88 142.46 33.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 73.11 110.866 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.46 -176.38 3.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.836 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -65.35 -36.21 83.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 63.22 110.898 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -67.6 -37.24 82.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 62.13 110.911 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -67.04 -53.07 34.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.04 110.875 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 2.8 tt -62.87 -35.61 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 65.12 111.161 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.1 tt -53.01 -48.93 67.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 70.23 110.881 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 178' ' ' VAL . 79.2 m-20 -50.9 -48.2 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 62.31 110.859 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -57.3 -56.46 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.21 111.062 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 26.4 t -55.2 -51.69 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 74.12 111.146 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 173' ' ' LEU . 89.1 t -50.42 -50.1 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.155 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 174' ' ' ASP . 89.7 t -61.46 -38.52 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 73.33 111.13 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 175' ' ' ALA . 86.1 t -59.31 -50.81 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 74.1 111.088 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.458 HG12 HD12 ' A' ' 184' ' ' LEU . 21.8 t -63.06 -44.81 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.131 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.581 ' HB2' HD21 ' A' ' 204' ' ' LEU . 3.8 m -61.25 -53.33 58.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 63.04 110.849 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' PHE . . . . . 0.617 ' CD2' HG21 ' A' ' 144' ' ' ILE . 33.2 t80 -55.93 -58.79 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.876 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 187' ' ' VAL . 32.9 mm -51.45 -48.61 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 54.31 111.111 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 188' ' ' LEU . 16.7 mt -58.9 -37.32 76.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 63.04 110.917 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.76 -58.37 7.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.83 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.481 HD11 HD13 ' A' ' 183' ' ' ILE . 7.9 pt -59.69 -45.3 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 71.43 111.148 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 183' ' ' ILE . 53.8 t -57.69 -40.2 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 63.04 111.168 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.646 HD12 ' OE2' ' A' ' 196' ' ' GLU . 3.6 mm? -75.72 -26.18 57.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 70.34 110.886 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 132' ' ' ASN . 12.8 tp -67.35 -50.29 60.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.955 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -89.63 13.48 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.884 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' GLN . . . . . 0.441 ' HB2' ' HA ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -86.04 -169.39 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.2 110.905 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -101.21 87.48 3.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 61.42 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 63.4 110.858 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.94 161.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.942 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 11.6 t80 51.23 70.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 65.2 110.912 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' GLU . . . . . 0.646 ' OE2' HD12 ' A' ' 188' ' ' LEU . 1.5 pt-20 179.61 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 63.31 110.913 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -55.24 -44.56 75.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 70.13 111.132 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.7 ' O ' HD12 ' A' ' 202' ' ' ILE . 21.8 mt -49.64 -35.65 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 71.11 110.958 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -50.37 -46.5 44.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 73.42 112.521 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 204' ' ' LEU . 4.3 mm? -55.43 -38.56 69.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 75.42 110.898 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 143' ' ' SER . 0.2 OUTLIER -68.08 -47.53 68.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.92 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 198' ' ' LEU . 1.7 mp -54.59 -54.51 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 51.32 111.152 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 200' ' ' LEU . 2.6 pp -62.83 -37.25 86.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.927 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 200' ' ' LEU . 0.2 OUTLIER -55.71 -61.02 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.929 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ARG . . . . . 0.63 ' HA ' HD11 ' A' ' 147' ' ' LEU . 59.3 ttp85 -64.35 -32.99 74.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.878 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -67.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.944 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.0 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 70.44 110.909 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -71.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 74.34 110.857 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 209' ' ' VAL . . . . . 0.527 HG12 HD13 ' A' ' 213' ' ' ILE . 72.2 t -50.62 -53.45 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 61.24 111.119 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -50.3 -48.93 54.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 63.3 111.104 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -57.44 -48.61 78.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 42.4 mm -54.47 -64.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 213' ' ' ILE . . . . . 0.527 HD13 HG12 ' A' ' 209' ' ' VAL . 3.8 mp -55.29 -58.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.44 111.171 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -50.12 -28.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.898 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -74.03 -49.72 12.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 75.03 112.509 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.1 tt -66.81 -35.42 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 74.31 111.141 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 217' ' ' ILE . . . . . 0.689 HG22 ' HE2' ' A' ' 221' ' ' LYS . 12.4 mm -70.91 -50.86 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.166 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 13.9 tt -64.41 -31.22 52.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 65.31 111.114 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 82.7 p -76.98 -34.96 57.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 70.33 110.866 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 216' ' ' ILE . 37.7 t -78.05 -43.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 63.22 111.128 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 221' ' ' LYS . . . . . 0.689 ' HE2' HG22 ' A' ' 217' ' ' ILE . 3.8 ptpt -66.49 -37.83 85.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 70.15 110.866 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.4 -30.33 63.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 55.11 111.146 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -80.01 -46.99 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.87 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.84 177.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 71.01 110.835 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -35.0 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 75.33 110.852 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 64.13 110.864 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.944 0.402 . . . . 74.43 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -167.26 131.34 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 54.42 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.6 mmm 53.0 68.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 71.04 110.859 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -173.99 65.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 85' ' ' PRO . . . -51.61 160.42 1.04 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 63.31 111.121 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 84' ' ' ALA . 53.7 Cg_endo -69.7 178.49 4.48 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 70.53 112.369 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 86' ' ' LEU . 2.1 pp -170.47 -37.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 65.11 110.91 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.22 -36.48 24.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.856 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.74 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 22.6 t80 -71.98 -53.17 13.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 73.14 110.902 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.824 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -52.7 -39.78 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 75.44 110.896 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.73 99.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 41.21 112.511 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.457 ' O ' HD23 ' A' ' 95' ' ' LEU . 17.4 ttp -65.3 -40.06 93.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 63.1 110.893 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.9 mt -64.33 -52.57 57.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 70.34 110.915 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.0 mtt-85 -59.37 -43.97 92.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 62.4 110.884 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -35.81 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.893 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 91' ' ' MET . 1.6 mm? -68.19 -52.8 30.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 72.03 110.928 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -39.66 88.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.731 ' OG ' HG11 ' A' ' 103' ' ' VAL . 20.2 t -71.24 -58.46 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.864 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.3 t -52.04 -35.6 47.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 64.23 110.893 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -80.77 -35.36 33.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 73.21 110.839 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.77 113.97 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.846 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.587 ' HA ' HD12 ' A' ' 104' ' ' ILE . 15.3 m-85 -49.56 -38.13 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 74.32 110.874 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -64.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 62.4 110.913 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.731 HG11 ' OG ' ' A' ' 97' ' ' SER . 83.2 t -51.43 -31.45 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.33 111.169 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 101' ' ' PHE . 50.5 mt -69.07 -74.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 64.44 111.163 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 109' ' ' VAL . 2.3 pp -50.91 -35.59 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 75.11 111.089 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 110' ' ' VAL . 68.4 mt -67.39 -49.22 73.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.4 111.126 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.2 -35.97 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 61.03 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -51.79 35.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 61.42 110.896 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 105' ' ' ILE . 91.2 t -57.52 -42.44 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 65.31 111.137 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 106' ' ' ILE . 96.0 t -65.67 -53.45 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 73.14 111.135 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.64 -53.81 54.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.11 110.923 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 116' ' ' VAL . 38.7 t70 -56.08 -59.37 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 74.01 110.851 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.92 63.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 74.35 111.102 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.581 HD12 HG12 ' A' ' 110' ' ' VAL . 5.6 mt -61.54 -56.06 24.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.953 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.27 -48.32 76.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.914 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 112' ' ' ASP . 83.3 t -56.43 -55.52 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.141 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.95 -53.38 57.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 74.43 110.889 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.79 -53.21 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 70.1 111.086 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.04 -36.08 80.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 54.42 110.892 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.56 -56.18 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 43.14 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.3 pt -65.09 -34.13 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 61.33 111.09 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -49.85 73.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.928 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -74.52 -34.76 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.86 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.56 -33.51 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 60.33 110.893 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -90.19 -30.27 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.911 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.3 mp 61.21 100.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.096 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 48.0 mm -53.47 -26.3 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 75.14 111.126 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -177.43 157.65 1.26 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.549 0.69 . . . . 71.45 110.931 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 79.36 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.677 2.252 . . . . 64.34 112.338 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.12 121.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.1 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.57 -168.03 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 64.21 110.888 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 58.28 34.96 24.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 70.4 110.87 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.34 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 51.12 110.907 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -76.81 -60.47 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.968 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.94 -52.28 63.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 75.31 111.131 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.584 ' CB ' HD11 ' A' ' 189' ' ' LEU . . . -57.63 -38.31 74.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 63.3 111.121 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -53.93 50.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.869 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.01 -48.13 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 55.24 111.135 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -57.78 -50.56 72.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 74.4 110.881 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.718 ' CD2' HD22 ' A' ' 201' ' ' LEU . 12.7 m170 -59.01 -51.88 68.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 71.23 110.811 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -50.63 -54.87 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 60.44 110.905 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.0 ttt -54.27 -55.44 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 73.43 110.918 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.91 -58.42 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 63.45 110.8 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.727 HG21 ' CD2' ' A' ' 182' ' ' PHE . 7.5 mt -54.26 -45.31 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 64.45 111.132 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 94.1 m -51.77 -53.47 39.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 73.54 111.114 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.59 -37.94 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 73.45 111.13 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 208' ' ' ARG . 13.4 tp -59.45 -65.97 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.932 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 37.1 t -54.65 -43.71 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 42.52 111.087 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -51.7 -58.71 5.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.2 110.87 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -48.24 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 62.22 110.902 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' MET . . . . . 0.522 ' SD ' HD11 ' A' ' 212' ' ' ILE . 5.4 tpt -52.35 -54.39 32.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 72.34 110.894 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -41.02 78.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.11 110.897 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -59.91 -46.21 90.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.879 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.97 -62.04 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 41.13 111.1 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.685 HD11 ' HG2' ' A' ' 171' ' ' GLU . 1.6 tt -51.58 -33.62 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 63.41 111.147 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -67.15 -57.38 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 73.54 110.854 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.21 66.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 73.12 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 5.7 tp -88.67 50.22 1.93 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 62.14 110.941 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -179.16 163.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.857 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.6 p -52.22 135.82 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 53.11 111.138 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -51.96 -74.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 73.51 110.917 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 58.68 177.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 75.01 110.86 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.75 -36.31 2.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 70.51 110.949 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.76 170.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.918 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -96.21 -36.14 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.921 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.98 155.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 64.14 110.901 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -139.86 -179.69 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 74.44 110.89 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.63 174.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -67.68 -55.31 13.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.912 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -52.89 -42.27 65.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 73.43 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.685 ' HG2' HD11 ' A' ' 155' ' ' ILE . 8.9 mt-10 -52.55 -35.9 54.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.863 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.722 ' O ' HG23 ' A' ' 176' ' ' VAL . 74.3 mt -51.61 -47.47 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 75.04 111.167 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 173' ' ' LEU . 3.2 tm? -51.7 -54.23 30.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.914 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.642 ' O ' HG23 ' A' ' 178' ' ' VAL . 98.7 m-20 -51.99 -52.07 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 61.25 110.912 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.58 -36.6 69.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 61.53 111.089 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 172' ' ' ILE . 95.3 t -64.03 -59.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 70.24 111.1 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.58 -30.57 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.136 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 174' ' ' ASP . 43.2 t -66.69 -57.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.14 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.47 -35.06 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 55.25 111.09 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 176' ' ' VAL . 57.4 t -64.43 -47.25 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.5 111.122 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.709 ' O ' HD21 ' A' ' 204' ' ' LEU . 1.3 p -65.81 -45.02 83.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 75.03 110.899 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' PHE . . . . . 0.727 ' CD2' HG21 ' A' ' 144' ' ' ILE . 7.3 t80 -56.48 -59.01 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 75.43 110.85 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ILE . . . . . 0.98 HD12 HD11 ' A' ' 186' ' ' ILE . 8.3 tp -59.38 -35.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 73.44 111.174 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.49 -48.91 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 70.2 110.905 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' ASP . . . . . 0.572 ' HB2' HD22 ' A' ' 204' ' ' LEU . 3.3 t70 -60.23 -56.54 20.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.876 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.98 HD11 HD12 ' A' ' 183' ' ' ILE . 19.7 pt -57.67 -33.29 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.22 111.125 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 183' ' ' ILE . 2.6 t -70.84 -52.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 70.1 111.12 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -28.85 68.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.885 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.658 HD22 ' CE1' ' A' ' 140' ' ' HIS . 14.8 tp -78.67 -41.38 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.889 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -92.31 14.4 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.878 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -152.83 -179.02 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.904 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.07 -166.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.83 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -51.88 -25.51 8.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.823 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 58.89 -178.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 61.01 110.896 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 74.07 -61.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.91 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -91.29 36.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 71.23 110.923 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -101.94 -20.47 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.44 111.089 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 12.7 mt -45.99 -35.0 4.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.03 -41.69 29.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 62.52 112.471 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.541 ' HA ' HD21 ' A' ' 203' ' ' LEU . 2.4 mm? -55.31 -42.83 74.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 74.41 110.947 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.718 HD22 ' CD2' ' A' ' 140' ' ' HIS . 8.5 tp -66.07 -42.92 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.896 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 14.8 mm -57.25 -59.83 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 72.23 111.118 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.607 HD13 ' CH2' ' A' ' 207' ' ' TRP . 1.0 OUTLIER -55.73 -43.55 76.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.924 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.709 HD21 ' O ' ' A' ' 181' ' ' SER . 1.9 mp -51.55 -60.13 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 72.15 110.923 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 205' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 209' ' ' VAL . 2.2 ttt-85 -56.95 -45.14 83.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 73.45 110.839 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.72 -42.95 76.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 70.35 110.91 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' TRP . . . . . 0.607 ' CH2' HD13 ' A' ' 203' ' ' LEU . 47.7 m0 -64.04 -58.23 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.911 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.664 ' HB2' HD11 ' A' ' 147' ' ' LEU . 1.1 mmp_? -55.76 -58.46 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.915 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 209' ' ' VAL . . . . . 0.507 HG12 HD13 ' A' ' 213' ' ' ILE . 95.9 t -50.09 -58.49 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.104 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.81 -41.33 44.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 63.41 111.104 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -47.13 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.872 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 212' ' ' ILE . . . . . 0.522 HD11 ' SD ' ' A' ' 151' ' ' MET . 49.1 mm -59.06 -61.71 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 62.14 111.117 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 213' ' ' ILE . . . . . 0.507 HD13 HG12 ' A' ' 209' ' ' VAL . 3.7 mp -53.35 -58.32 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.151 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -49.79 -38.97 36.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.868 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -65.33 -42.37 96.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 74.1 112.505 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.558 ' O ' HG23 ' A' ' 220' ' ' VAL . 0.4 OUTLIER -66.39 -33.26 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 72.21 111.152 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 34.8 mm -71.11 -46.51 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 71.54 111.155 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 19.3 tt -67.84 -31.84 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 70.31 111.139 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 219' ' ' SER . . . . . 0.418 ' HA ' HG22 ' A' ' 222' ' ' THR . 2.9 t -75.95 -34.55 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 72.51 110.84 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 220' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 216' ' ' ILE . 41.4 t -76.41 -37.97 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 73.25 111.133 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -74.53 -37.17 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 64.23 110.921 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 222' ' ' THR . . . . . 0.418 HG22 ' HA ' ' A' ' 219' ' ' SER . 7.2 t -73.18 -30.8 63.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 72.34 111.143 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -36.6 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 74.43 110.839 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.35 165.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.861 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.81 -34.99 73.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.911 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 74.44 110.882 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.909 0.385 . . . . 75.22 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -52.64 -55.63 21.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.857 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -176.48 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.88 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.15 38.53 20.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.857 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' A' ' 85' ' ' PRO . . . -53.26 160.47 1.7 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 44.13 111.065 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' A' ' 84' ' ' ALA . 53.7 Cg_endo -69.75 -177.17 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 71.13 112.328 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 86' ' ' LEU . 2.1 pp -169.55 -37.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.936 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -37.32 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 61.4 110.825 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.748 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 24.0 t80 -71.85 -53.06 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.902 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' A' ' 92' ' ' LEU . 17.7 mmm180 -52.5 -40.18 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.876 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.47 -38.56 96.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 72.22 112.506 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.4 ttp -67.91 -39.31 83.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 71.05 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.748 HD21 ' CZ ' ' A' ' 88' ' ' PHE . 8.0 mt -65.83 -52.19 52.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 73.31 110.901 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -45.07 95.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 75.54 110.831 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -67.04 -36.13 81.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 61.33 110.892 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.72 -52.28 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -64.45 -45.63 86.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.908 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 t -58.1 -44.33 87.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 62.51 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -71.6 -38.62 70.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.877 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -65.38 -59.3 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 61.14 110.856 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.27 -75.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.869 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -52.01 -56.28 15.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 72.54 110.859 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.691 ' HA ' HD12 ' A' ' 105' ' ' ILE . 32.3 tt0 -51.92 -42.57 62.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.892 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.87 -47.87 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 72.4 111.153 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.76 -35.73 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 102' ' ' GLN . 28.7 mt -65.64 -61.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 74.44 111.167 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 110' ' ' VAL . 3.5 tt -57.06 -35.69 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.51 111.175 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.17 -48.96 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 63.21 110.882 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.708 HD13 ' CE2' ' A' ' 150' ' ' PHE . 21.3 tp -65.27 -43.03 92.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.911 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 105' ' ' ILE . 90.0 t -59.06 -55.48 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 70.2 111.145 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 106' ' ' ILE . 61.8 t -61.66 -53.63 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.188 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.499 HD23 ' HE1' ' A' ' 150' ' ' PHE . 15.9 tp -54.24 -62.44 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 72.52 110.874 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.49 ' O ' HG23 ' A' ' 116' ' ' VAL . 30.5 t70 -51.91 -41.57 62.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.898 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.75 76.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 64.31 111.1 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.15 -53.44 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 70.52 110.932 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 mt -55.29 -59.72 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.917 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 112' ' ' ASP . 97.8 t -53.88 -39.71 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 63.11 111.127 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.04 -55.38 35.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.912 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.36 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 72.31 111.097 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -35.65 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 73.23 110.874 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.07 -54.9 26.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.23 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.0 pt -63.18 -34.2 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.153 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 1.061 HD22 HD11 ' A' ' 127' ' ' ILE . 14.4 mt -71.49 -40.53 70.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.993 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -74.41 -35.56 63.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.13 110.885 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -70.76 -34.25 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.941 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -32.72 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.955 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.1 mp 61.23 96.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 63.2 111.134 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 1.061 HD11 HD22 ' A' ' 122' ' ' LEU . 4.4 mp -55.39 -28.57 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 72.21 111.157 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -146.4 119.5 5.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 73.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 89.34 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.608 2.206 . . . . 73.15 112.381 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -154.9 -168.28 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.866 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.63 140.24 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 62.33 110.904 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 59.28 85.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 65.02 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.34 -169.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 52.33 110.899 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.412 ' O ' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -51.83 -38.9 57.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.01 110.896 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.86 -52.55 59.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 61.13 111.143 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 1.138 ' HB1' HD11 ' A' ' 189' ' ' LEU . . . -63.1 -53.27 56.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 72.21 111.111 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -53.65 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.872 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 134' ' ' TYR . 52.0 t -58.96 -52.82 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 75.11 111.127 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.02 -51.22 58.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 64.45 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.606 ' NE2' HD13 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -63.0 -50.21 71.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 75.55 110.859 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -51.51 -47.19 63.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.955 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.3 ttt -62.19 -52.47 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 63.21 110.855 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.626 ' CB ' HD11 ' A' ' 201' ' ' LEU . 4.4 m -51.78 -54.43 28.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 61.42 110.805 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.553 ' CD1' HD22 ' A' ' 204' ' ' LEU . 41.7 mm -56.68 -45.52 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.144 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 95.2 m -54.36 -45.75 72.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 35.41 111.131 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 42.5 mm -65.31 -44.5 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.32 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.703 HD11 ' HA ' ' A' ' 205' ' ' ARG . 12.9 mt -55.23 -60.76 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.947 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 41.8 t -58.39 -43.72 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.31 111.137 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -51.74 -55.48 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.851 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.708 ' CE2' HD13 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -61.4 -41.44 97.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.859 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 151' ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -51.97 -59.53 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.05 110.897 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.403 ' HA ' HD12 ' A' ' 155' ' ' ILE . 20.9 mmt -61.81 -40.38 95.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.891 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -52.19 -45.8 65.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.6 mm -72.68 -49.33 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 63.12 111.135 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.597 HD11 ' SD ' ' A' ' 151' ' ' MET . 26.8 mt -51.8 -37.46 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.151 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -82.89 -45.88 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.856 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -52.76 54.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 51.34 110.891 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -94.84 169.6 10.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 63.42 110.902 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.15 168.63 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.906 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.2 m -99.76 -179.43 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 61.44 111.108 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -103.43 -61.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -124.85 148.09 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 71.12 110.859 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.9 mp -129.14 71.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 64.21 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.25 -177.41 5.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.892 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -56.43 -44.92 80.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.21 110.875 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -113.57 123.96 51.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 65.51 110.927 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -84.31 176.01 9.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.526 ' O ' HG22 ' A' ' 172' ' ' ILE . 0.1 OUTLIER -53.03 148.12 8.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.878 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.35 -38.89 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.924 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -76.83 -39.93 49.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.871 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -59.41 -53.12 61.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.857 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 168' ' ' HIS . 8.0 tp -67.42 -35.27 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.14 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.0 tt -54.79 -52.38 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 63.23 110.887 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.702 ' O ' HG23 ' A' ' 178' ' ' VAL . 1.4 m-20 -50.94 -50.76 57.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.869 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -54.9 -49.49 71.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 61.12 111.072 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 180' ' ' VAL . 88.6 t -63.48 -35.29 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.53 111.156 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 173' ' ' LEU . 96.9 t -72.12 -33.61 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 72.34 111.12 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 174' ' ' ASP . 88.9 t -72.75 -43.31 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.34 111.132 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' VAL . . . . . 0.655 ' O ' HG22 ' A' ' 183' ' ' ILE . 7.6 p -68.43 -43.35 84.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 75.44 111.165 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 176' ' ' VAL . 10.5 p -68.52 -37.77 78.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 72.35 111.164 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.525 ' C ' HD11 ' A' ' 204' ' ' LEU . 85.0 p -71.6 -40.01 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 62.42 110.859 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.75 -53.04 53.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 70.13 110.87 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 179' ' ' VAL . 11.0 tt -62.99 -41.37 92.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 74.32 111.116 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.758 HD23 HD11 ' A' ' 200' ' ' LEU . 3.7 tp -68.62 -29.06 67.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 65.13 110.882 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.09 -51.03 23.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 63.04 110.903 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 187' ' ' VAL . 11.9 pt -60.86 -45.08 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 54.33 111.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 183' ' ' ILE . 22.0 m -66.02 -37.82 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.128 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.402 HD12 ' HG ' ' A' ' 200' ' ' LEU . 21.3 mt -73.15 -31.2 64.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.953 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 1.138 HD11 ' HB1' ' A' ' 136' ' ' ALA . 1.1 tp -70.17 -48.19 58.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.929 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -64.17 -41.04 97.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.879 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -174.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 71.43 110.93 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -103.97 35.81 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 62.44 110.857 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -34.72 76.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.11 110.861 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? 66.47 124.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.948 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 74.51 -59.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.857 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -27.89 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.872 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.786 ' HB1' HD12 ' A' ' 189' ' ' LEU . . . -46.23 -64.54 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 64.5 111.073 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.01 -36.45 61.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 54.14 110.925 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.74 -45.52 39.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 75.55 112.501 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.758 HD11 HD23 ' A' ' 184' ' ' LEU . 1.9 mm? -53.38 -40.25 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 52.01 110.905 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.626 HD11 ' CB ' ' A' ' 143' ' ' SER . 0.2 OUTLIER -68.58 -44.61 74.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 71.24 110.902 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 13.1 mm -55.11 -57.81 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.45 111.186 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.604 HD21 ' HA ' ' A' ' 200' ' ' LEU . 1.2 pp -57.39 -43.98 84.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.925 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 144' ' ' ILE . 0.0 OUTLIER -50.99 -61.23 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.92 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 205' ' ' ARG . . . . . 0.703 ' HA ' HD11 ' A' ' 147' ' ' LEU . 0.7 OUTLIER -61.79 -34.41 75.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 72.24 110.881 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -70.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.919 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -57.89 -31.32 66.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.863 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.619 ' HD3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -62.5 -74.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 73.32 110.885 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 209' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 205' ' ' ARG . 13.8 p -51.15 -35.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.23 111.113 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -60.44 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 61.01 111.071 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -55.34 -38.33 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.04 110.874 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 212' ' ' ILE . . . . . 0.522 HD11 HH21 ' A' ' 208' ' ' ARG . 33.1 mm -59.28 -69.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.15 111.146 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 213' ' ' ILE . . . . . 0.646 HD13 HG22 ' A' ' 209' ' ' VAL . 3.3 mp -58.31 -59.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 63.05 111.168 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -50.56 -32.69 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.4 110.913 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.46 -45.14 55.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 70.43 112.498 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 220' ' ' VAL . 1.7 tt -65.21 -33.79 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 54.31 111.137 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 217' ' ' ILE . . . . . 0.656 HG22 ' HE2' ' A' ' 221' ' ' LYS . 31.8 mm -71.84 -50.69 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 61.32 111.127 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 21.4 tt -63.43 -31.91 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.169 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 5.0 t -76.7 -35.18 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.834 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 220' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 216' ' ' ILE . 35.1 t -76.98 -42.57 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 61.42 111.123 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 221' ' ' LYS . . . . . 0.656 ' HE2' HG22 ' A' ' 217' ' ' ILE . 4.0 ptpt -68.58 -37.77 80.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 72.11 110.91 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.25 -30.39 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 71.25 111.136 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -144.27 110.53 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 60.53 110.867 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 2.4 t -158.95 105.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.848 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -88.27 -35.06 17.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 73.42 110.845 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 71.04 110.869 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.906 0.384 . . . . 72.22 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -91.54 -36.24 13.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.849 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.88 52.14 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 73.01 110.859 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -125.8 36.12 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.843 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 57.88 75.08 0.57 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.724 . . . . 74.32 111.137 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 170.86 15.56 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 72.53 112.348 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 87' ' ' ASP . 3.5 pp -149.14 -40.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 71.04 110.966 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.423 ' N ' HD12 ' A' ' 86' ' ' LEU . 1.3 t70 -89.6 -38.82 13.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 61.34 110.879 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.755 ' CE2' HD11 ' A' ' 92' ' ' LEU . 28.1 t80 -71.82 -58.43 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.874 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.798 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.68 -39.19 61.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 65.55 110.883 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.13 99.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 32.12 112.503 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.82 -40.08 91.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 73.04 110.865 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.2 mt -64.57 -54.08 37.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.913 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -59.09 -42.39 90.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 52.43 110.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -67.54 -40.26 85.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 63.22 110.911 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.56 -53.92 51.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.912 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.47 -55.85 23.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 90.3 p -52.2 -36.45 52.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 70.44 110.826 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.7 t -69.2 -67.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.895 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -151.72 64.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 62.34 110.897 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.582 ' CD ' HD11 ' A' ' 104' ' ' ILE . 10.1 ttm180 -52.06 -55.68 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 61.33 110.858 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.814 ' HA ' HD12 ' A' ' 104' ' ' ILE . 47.5 p90 -50.85 -41.21 57.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 72.52 110.865 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.41 -49.93 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.952 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.48 -32.91 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 75.11 111.097 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 101' ' ' PHE . 35.2 mt -66.55 -59.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 61.44 111.163 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 109' ' ' VAL . 10.1 tt -56.79 -39.77 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 64.24 111.16 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.544 ' O ' HG23 ' A' ' 110' ' ' VAL . 63.2 mt -69.21 -43.11 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 74.01 111.161 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.0 t -63.43 -35.65 81.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 52.22 110.845 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.23 -51.78 19.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 64.43 110.883 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 105' ' ' ILE . 84.9 t -56.51 -44.5 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.156 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 106' ' ' ILE . 97.9 t -69.52 -44.83 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 74.22 111.101 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.67 HD22 HG23 ' A' ' 146' ' ' ILE . 12.8 mt -54.51 -55.91 24.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 75.04 110.909 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.89 -49.38 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.891 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.81 -47.95 64.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 72.1 111.095 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.07 -43.32 87.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 72.43 110.907 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.76 -59.64 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.891 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.07 -54.59 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 55.33 111.095 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.4 tp -51.91 -55.34 20.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 63.44 110.911 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.624 ' O ' HD12 ' A' ' 122' ' ' LEU . . . -52.79 -45.02 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.51 111.098 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.94 -35.91 79.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -56.51 9.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 65.51 110.899 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.8 pt -59.0 -34.56 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 70.21 111.118 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -69.73 -56.79 6.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.902 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -52.48 50.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.44 110.882 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.64 -33.82 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 64.21 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -54.49 -50.58 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.35 110.864 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 2.6 pt -114.54 35.66 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.105 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 16.7 mm 70.56 -70.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 71.22 111.116 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -173.17 154.55 2.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 74.41 110.903 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 104.37 1.3 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.661 2.241 . . . . 63.25 112.351 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.41 -40.57 3.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 74.04 110.873 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -36.12 47.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.951 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 51.65 86.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.873 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.5 t30 179.48 -76.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 71.13 110.898 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -77.15 -60.55 2.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 65.04 110.954 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.52 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 74.52 111.095 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 1.054 ' HB1' HD11 ' A' ' 189' ' ' LEU . . . -54.0 -44.65 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 55.55 111.148 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -54.18 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 64.04 110.841 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 67.1 t -51.58 -55.99 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 71.13 111.098 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.466 ' HE1' HD13 ' A' ' 122' ' ' LEU . 25.9 m-85 -53.31 -50.96 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.87 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.733 ' CD2' HD22 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -57.59 -45.08 85.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.872 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.72 -49.95 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 73.02 110.908 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 2.4 mtp -61.16 -38.6 87.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.851 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.704 ' CB ' HD11 ' A' ' 201' ' ' LEU . 4.1 t -60.24 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 70.54 110.821 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 7.2 tp -58.86 -35.38 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 63.23 111.138 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 70.4 m -59.74 -56.09 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 63.52 111.174 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.67 HG23 HD22 ' A' ' 111' ' ' LEU . 74.8 mt -65.94 -34.61 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.145 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 208' ' ' ARG . 9.1 tp -61.06 -63.74 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 63.32 110.898 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.71 -49.17 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.114 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -51.92 -59.06 4.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.868 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.03 -50.67 63.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 75.45 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -49.48 62.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.88 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -42.4 90.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 62.44 110.895 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -60.25 -42.48 95.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.92 -61.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 64.14 111.14 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 25.2 pt -53.55 -32.46 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.11 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.13 -58.49 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 75.44 110.898 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -50.07 69.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 62.32 165.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.27 -0.423 . . . . 63.42 110.895 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -117.88 -45.26 2.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.851 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.7 m -65.88 -177.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 70.24 111.125 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -110.03 82.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.893 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -148.29 41.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 74.34 110.87 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.32 -170.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 73.32 110.903 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.46 43.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 70.3 110.878 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.59 -45.41 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 65.3 110.856 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -99.93 179.99 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -109.8 -179.7 3.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.885 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -122.4 179.44 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 64.11 110.887 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -41.05 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 54.45 110.975 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -53.24 -35.89 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.834 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -35.8 46.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 75.31 110.867 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.68 ' O ' HG23 ' A' ' 176' ' ' VAL . 51.1 mm -51.63 -56.63 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 74.43 111.164 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.53 HD23 ' N ' ' A' ' 174' ' ' ASP . 4.4 tt -52.27 -56.9 11.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.931 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.53 ' N ' HD23 ' A' ' 173' ' ' LEU . 21.3 t0 -51.74 -51.54 55.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 70.23 110.841 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 179' ' ' VAL . . . -55.21 -37.58 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.096 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 172' ' ' ILE . 68.5 t -72.66 -30.84 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.105 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 173' ' ' LEU . 99.0 t -76.66 -39.26 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.54 111.128 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 29.2 m -70.44 -38.64 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 61.13 111.121 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 175' ' ' ALA . 30.8 m -72.47 -44.25 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 64.4 111.104 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.482 ' N ' HG23 ' A' ' 179' ' ' VAL . 8.9 p -68.64 -37.42 77.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 45.42 111.121 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.708 ' C ' HD21 ' A' ' 204' ' ' LEU . 83.6 p -68.99 -51.58 37.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 55.13 110.849 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -57.86 -48.34 80.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.883 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 187' ' ' VAL . 66.9 mt -57.4 -51.18 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.01 111.126 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -38.08 74.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.916 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' ASP . . . . . 0.521 ' OD2' HD23 ' A' ' 201' ' ' LEU . 0.8 OUTLIER -62.33 -57.37 11.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.835 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.1 pt -61.99 -40.84 88.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 72.43 111.131 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 183' ' ' ILE . 37.8 t -55.7 -48.69 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 70.41 111.178 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.775 HD13 HD21 ' A' ' 200' ' ' LEU . 0.1 OUTLIER -72.9 -30.75 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 74.04 110.932 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 1.054 HD11 ' HB1' ' A' ' 136' ' ' ALA . 16.9 tp -58.74 -50.39 74.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.922 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -79.98 -23.95 41.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.34 110.848 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -45.7 -38.65 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 43.4 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -163.66 169.62 18.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 63.42 110.856 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -90.99 45.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 70.12 110.833 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.4 121.47 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.879 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' PHE . . . . . 0.444 ' CE2' HD12 ' A' ' 198' ' ' LEU . 1.8 t80 -50.16 -34.31 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.867 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -51.77 -33.33 34.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.903 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 189' ' ' LEU . . . -52.02 -47.47 64.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 70.25 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.444 HD12 ' CE2' ' A' ' 195' ' ' PHE . 8.4 mt -50.35 -34.86 25.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.942 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.36 -41.76 32.61 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.763 -0.732 . . . . 71.33 112.483 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.775 HD21 HD13 ' A' ' 188' ' ' LEU . 2.6 mp -52.57 -43.69 65.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 71.21 110.882 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.704 HD11 ' CB ' ' A' ' 143' ' ' SER . 2.3 tm? -67.35 -42.08 84.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.918 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 13.2 mm -58.18 -57.56 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 61.25 111.131 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.596 HD13 ' CH2' ' A' ' 207' ' ' TRP . 1.1 pp -58.05 -43.39 86.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 64.33 110.914 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.708 HD21 ' C ' ' A' ' 181' ' ' SER . 2.0 mp -51.96 -61.29 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 71.42 110.9 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 205' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 209' ' ' VAL . 2.6 ptm180 -60.06 -33.22 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.841 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 23.1 tp -64.32 -46.82 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 207' ' ' TRP . . . . . 0.596 ' CH2' HD13 ' A' ' 203' ' ' LEU . 42.2 m0 -62.88 -53.21 57.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 72.15 110.952 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.541 ' HB2' HD21 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -55.76 -61.72 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 64.13 110.867 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 209' ' ' VAL . . . . . 0.486 HG12 HD13 ' A' ' 213' ' ' ILE . 91.7 t -51.54 -63.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 53.4 111.106 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -47.88 -44.57 29.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.54 111.1 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -56.78 -53.08 61.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.887 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 46.7 mm -56.3 -63.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 74.13 111.151 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 213' ' ' ILE . . . . . 0.486 HD13 HG12 ' A' ' 209' ' ' VAL . 3.5 mp -51.27 -59.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 65.23 111.095 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -50.64 -33.15 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 72.12 110.879 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -69.7 -45.39 58.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 75.05 112.476 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 220' ' ' VAL . 0.4 OUTLIER -65.15 -33.91 66.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 60.12 111.131 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 34.8 mm -72.02 -53.44 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.41 111.136 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.13 -31.66 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 61.41 111.124 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 219' ' ' SER . . . . . 0.716 ' O ' HG22 ' A' ' 222' ' ' THR . 4.3 t -76.22 -36.1 58.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.881 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 220' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 216' ' ' ILE . 24.2 t -73.86 -29.52 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 52.03 111.09 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -54.44 -33.69 60.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.894 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 222' ' ' THR . . . . . 0.716 HG22 ' O ' ' A' ' 219' ' ' SER . 2.9 t -72.73 -24.52 60.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 72.44 111.147 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.57 -84.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 72.05 110.824 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.44 160.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.855 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -107.03 -34.83 7.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.901 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.864 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.865 0.364 . . . . 73.44 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -110.96 85.01 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 64.31 110.846 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -107.66 155.04 20.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.862 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.49 48.42 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.856 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 58.34 75.4 0.53 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 64.34 111.093 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 174.28 9.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 74.44 112.33 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 pp -158.33 -38.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.919 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.95 -35.37 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 64.2 110.849 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.755 ' CE2' HD11 ' A' ' 92' ' ' LEU . 26.2 t80 -71.63 -58.39 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.904 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.805 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -53.0 -37.06 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 64.44 110.865 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.16 96.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 71.22 112.52 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.4 ttp -65.27 -38.9 91.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 72.54 110.867 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.805 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.6 mt -65.37 -54.45 28.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.927 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -59.83 -41.75 92.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.918 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -68.12 -36.23 79.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 72.32 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.72 -54.83 25.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.952 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -47.01 86.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.54 110.918 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 t -60.43 -38.42 84.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.871 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.6 t -66.01 -57.42 7.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 54.3 110.875 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.425 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -58.52 -37.9 76.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.3 110.912 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -68.86 -36.22 77.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.912 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.612 ' O ' HD12 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -52.07 -57.38 9.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.866 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -51.78 -40.38 60.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.897 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 99' ' ' HIS . 48.6 t -61.67 -47.18 94.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 62.13 111.128 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.2 mt -60.65 -56.53 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.11 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.632 ' CG1' HD11 ' A' ' 216' ' ' ILE . 3.8 mt -51.8 -56.77 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 65.03 111.128 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 110' ' ' VAL . 51.8 mt -58.18 -39.88 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 71.12 111.151 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.6 t -65.01 -33.74 76.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 51.04 110.863 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 108' ' ' LEU . 7.2 tt -71.34 -52.33 19.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.904 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.5 m -60.19 -39.23 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.41 111.091 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 106' ' ' ILE . 71.5 t -72.64 -45.44 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 64.31 111.131 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -55.91 -49.91 72.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.933 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.48 -48.48 64.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.864 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.03 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 22.43 111.117 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.73 -40.83 75.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 73.33 110.89 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 111' ' ' LEU . 1.7 mm? -58.29 -55.48 34.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 73.24 110.949 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.53 -53.37 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 62.4 111.112 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.1 tp -51.82 -55.31 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 64.21 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.55 -48.92 76.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.1 111.092 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -35.72 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 70.35 110.868 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.98 -56.64 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.882 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.8 pt -60.03 -33.99 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 62.12 111.136 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.25 -51.04 41.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 62.24 110.909 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -57.87 -44.52 86.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.86 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.82 -35.87 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -54.76 -35.7 64.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.935 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.697 HG22 HG13 ' A' ' 127' ' ' ILE . 47.9 mm -51.43 -75.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 73.45 111.148 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.697 HG13 HG22 ' A' ' 126' ' ' ILE . 40.8 mt -137.2 -41.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 54.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.665 ' HG3' HG22 ' A' ' 127' ' ' ILE . 0.4 OUTLIER -175.56 158.85 2.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.727 . . . . 73.01 110.894 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 75.1 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 53.51 112.34 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.29 88.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 54.31 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.556 ' HE3' HD21 ' A' ' 198' ' ' LEU . 2.4 mtmt -70.9 -74.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 65.35 110.905 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 51.28 62.71 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 62.54 110.861 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.589 ' N ' HD21 ' A' ' 189' ' ' LEU . 0.1 OUTLIER 179.58 -165.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 54.21 110.886 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -46.49 -47.25 19.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.51 110.951 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.76 -41.99 71.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 72.32 111.093 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.743 ' HB1' HD11 ' A' ' 189' ' ' LEU . . . -65.76 -50.56 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 52.12 111.122 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.5 ttp -51.79 -53.92 34.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.876 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.76 -45.18 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 53.45 111.14 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.33 -48.64 78.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 64.2 110.914 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -61.89 -50.72 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.13 110.877 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -46.32 64.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.938 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.9 ttp -65.04 -42.18 94.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.2 110.85 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 t -60.8 -50.86 71.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 71.43 110.912 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.3 mm -60.45 -52.38 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 72.45 111.091 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 62.6 m -51.54 -51.86 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.115 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 42.9 mt -63.2 -34.99 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 73.52 111.142 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.812 HD11 ' HG2' ' A' ' 208' ' ' ARG . 0.7 OUTLIER -60.13 -62.49 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 71.32 110.873 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.05 -35.42 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 34.13 111.138 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -64.09 -51.2 65.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.828 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.37 -46.23 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.868 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' MET . . . . . 0.42 ' CG ' HD11 ' A' ' 212' ' ' ILE . 0.0 OUTLIER -56.97 -59.64 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.881 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -36.15 68.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.7 -53.54 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.834 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.57 -55.37 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 73.43 111.122 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 44.2 mm -53.0 -38.69 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 64.14 111.183 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -70.6 -55.46 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.916 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -52.15 -41.41 62.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 54.34 110.902 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -36.64 61.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 60.23 110.914 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 11.8 t80 58.24 87.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 61.44 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.4 p -143.73 131.26 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 72.01 111.115 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.92 -171.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.858 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.44 157.46 30.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 74.23 110.896 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 8.6 mt -127.0 77.04 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 43.44 110.865 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -63.6 -177.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 72.24 110.875 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -58.44 -40.71 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 73.44 110.876 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.02 136.72 46.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 74.33 110.881 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -114.89 147.45 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 74.04 110.887 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -71.98 160.33 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 72.15 110.857 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -60.54 -38.51 84.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 62.23 110.857 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -43.34 82.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.22 110.861 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -53.01 -36.1 60.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 73.21 110.891 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 31.7 mm -79.27 -35.56 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 71.21 111.126 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.764 ' O ' HG23 ' A' ' 177' ' ' VAL . 4.3 tt -52.99 -57.25 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 63.43 110.916 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.587 ' N ' HD23 ' A' ' 173' ' ' LEU . 1.4 p30 -49.79 -45.5 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 73.41 110.864 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.605 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -51.81 -56.35 14.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 73.13 111.114 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 180' ' ' VAL . 21.9 t -57.29 -41.01 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.125 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 173' ' ' LEU . 21.9 t -56.04 -64.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 62.31 111.111 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 31.2 m -54.39 -33.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 73.02 111.127 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 175' ' ' ALA . 41.7 t -66.17 -44.4 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 73.02 111.104 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 176' ' ' VAL . 98.6 t -64.04 -44.78 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 53.34 111.117 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 70.8 m -61.88 -53.14 59.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 35.04 110.882 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -56.46 -58.96 5.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 65.14 110.884 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 187' ' ' VAL . 78.5 mt -52.73 -50.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.51 111.111 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 1.044 HD23 HD11 ' A' ' 200' ' ' LEU . 31.4 tp -56.14 -35.29 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 64.23 110.932 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.29 -57.78 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.851 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.0 pt -61.5 -40.02 84.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 75.2 111.156 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 183' ' ' ILE . 52.8 t -59.27 -54.78 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 74.53 111.151 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 184' ' ' LEU . 3.9 mm? -61.74 -33.96 74.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 75.21 110.931 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.743 HD11 ' HB1' ' A' ' 136' ' ' ALA . 0.4 OUTLIER -62.2 -46.92 86.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 62.44 110.884 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -91.4 13.46 17.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.932 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -110.61 -74.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 75.14 110.892 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -26.3 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 62.21 110.891 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 1.4 t60 64.81 34.56 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.844 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -119.12 175.5 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.877 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -54.46 -25.76 27.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.35 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -46.39 -35.98 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.902 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.47 67.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 43.31 111.079 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.556 HD21 ' HE3' ' A' ' 131' ' ' LYS . 7.2 mp -59.56 -35.21 73.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 63.44 110.889 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -48.16 -37.1 16.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 25.14 112.465 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 1.044 HD11 HD23 ' A' ' 184' ' ' LEU . 4.3 mm? -61.0 -44.65 97.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 75.01 110.919 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -35.9 82.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 65.21 110.926 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 10.1 mm -64.78 -58.84 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 71.12 111.135 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.613 HD12 ' N ' ' A' ' 204' ' ' LEU . 3.3 pp -55.61 -35.52 65.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 53.14 110.885 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 203' ' ' LEU . 0.5 OUTLIER -64.72 -54.75 26.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.909 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -58.49 -39.71 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 72.01 110.909 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.29 -35.84 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.883 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 207' ' ' TRP . . . . . 0.416 ' CE3' HD23 ' A' ' 204' ' ' LEU . 0.9 OUTLIER -71.62 -51.87 20.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 71.3 110.889 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.812 ' HG2' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -60.64 -46.9 88.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 73.05 110.863 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 209' ' ' VAL . . . . . 0.416 ' O ' ' HB ' ' A' ' 213' ' ' ILE . 6.0 p -64.9 -36.98 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 73.31 111.117 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -61.5 -56.96 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.3 111.124 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -63.65 -51.88 63.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.44 110.901 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 212' ' ' ILE . . . . . 0.42 HD11 ' CG ' ' A' ' 151' ' ' MET . 19.5 mm -51.23 -68.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 75.13 111.12 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 213' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 209' ' ' VAL . 1.7 mp -49.73 -39.79 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.41 111.151 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -63.82 -37.03 85.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 63.34 110.896 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.05 -44.94 59.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 53.23 112.498 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.632 HD11 ' CG1' ' A' ' 105' ' ' ILE . 5.9 tt -68.5 -36.01 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 65.31 111.129 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 217' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 218' ' ' ILE . 1.1 mp -68.84 -47.96 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 71.04 111.118 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.405 ' N ' HG22 ' A' ' 217' ' ' ILE . 10.7 tt -66.47 -33.67 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 64.04 111.136 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.2 p -77.1 -32.29 56.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 72.24 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 220' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 216' ' ' ILE . 19.9 t -78.83 -39.33 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 72.32 111.106 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -72.14 -35.97 69.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.901 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 10.3 t -72.48 -29.69 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.22 111.167 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.02 28.39 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 72.32 110.85 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.3 t -143.88 -170.07 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 62.24 110.887 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -34.52 60.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.871 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.86 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.0 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.919 0.39 . . . . 73.41 110.836 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -65.85 170.14 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.8 mmt -108.17 -74.23 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.909 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.09 46.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.15 110.881 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 85' ' ' PRO . . . 63.67 160.45 0.12 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 62.23 111.116 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 84' ' ' ALA . 53.0 Cg_endo -69.83 172.15 13.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 72.25 112.314 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 87' ' ' ASP . 3.5 pp -147.72 -40.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 53.22 110.943 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.423 ' N ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -90.27 -38.93 13.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 42.31 110.852 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.759 ' CE2' HD11 ' A' ' 92' ' ' LEU . 27.3 t80 -71.81 -58.35 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.906 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.803 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.59 -40.16 62.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.15 110.856 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.63 -39.98 98.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.664 -0.779 . . . . 75.34 112.475 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.5 ttm -67.12 -39.92 86.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 72.11 110.859 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.803 HD12 ' HA ' ' A' ' 89' ' ' ARG . 6.4 mt -64.09 -53.03 56.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.939 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -60.39 -45.1 94.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.869 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -65.75 -35.8 81.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.902 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mt -64.61 -57.57 8.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 62.03 110.932 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -58.65 -50.61 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.5 t -56.94 -43.14 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 60.43 110.887 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 m -61.4 -47.13 87.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 75.31 110.876 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -65.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.869 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 72.26 -68.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.832 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -52.2 -60.98 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.938 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.615 ' HA ' HD12 ' A' ' 105' ' ' ILE . 9.1 tt0 -51.94 -46.47 64.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.972 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.9 t -52.74 -47.91 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 72.4 111.176 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 53.2 mt -63.39 -44.27 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 74.34 111.137 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 109' ' ' VAL . 48.3 mt -56.01 -63.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.42 111.167 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 110' ' ' VAL . 3.1 tt -58.24 -35.56 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.03 111.115 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.474 ' O ' HD23 ' A' ' 111' ' ' LEU . 38.2 t -56.68 -57.15 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 65.35 110.875 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.73 HD13 ' CZ ' ' A' ' 150' ' ' PHE . 8.3 tp -62.7 -48.54 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 73.43 110.936 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 105' ' ' ILE . 88.8 t -52.23 -56.4 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.33 111.128 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 106' ' ' ILE . 95.7 t -60.73 -38.63 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 73.51 111.082 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.7 mm? -60.83 -52.43 65.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 55.31 110.918 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.67 -55.29 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.896 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.85 -49.99 67.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 54.31 111.081 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.489 HD12 HG12 ' A' ' 110' ' ' VAL . 45.4 mt -63.08 -35.63 80.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 72.24 110.938 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 111' ' ' LEU . 1.1 mm? -61.27 -59.65 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 75.01 110.915 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.7 p -59.98 -38.76 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 50.14 111.139 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.67 -55.4 23.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 71.01 110.973 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.28 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.124 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -51.55 68.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.847 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 -56.63 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.912 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.451 HD13 ' O ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -60.06 -29.48 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 72.43 111.149 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.421 ' O ' HD13 ' A' ' 126' ' ' ILE . 7.6 mt -69.47 -56.92 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 73.14 110.907 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.32 -36.0 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.858 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.22 -30.8 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 52.4 110.908 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.43 -35.39 65.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.937 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.1 OUTLIER -120.04 45.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.22 111.156 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.3 mt -50.1 -34.21 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.11 111.122 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -53.12 153.56 6.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 61.44 110.922 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -171.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.274 . . . . 75.12 112.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.24 -43.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 63.04 110.877 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt 61.75 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 64.51 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.99 91.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.929 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.84 -174.24 4.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.955 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -35.71 73.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 64.33 110.928 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.69 -53.9 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 15.24 111.095 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.61 ' HB1' HD21 ' A' ' 189' ' ' LEU . . . -67.78 -34.59 77.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 63.13 111.155 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.81 -52.7 59.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 60.41 110.867 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.3 -32.42 57.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 74.33 111.127 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -51.4 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.909 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -42.85 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 71.4 110.853 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.39 -44.81 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.909 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.573 ' O ' HG22 ' A' ' 146' ' ' ILE . 1.0 OUTLIER -67.43 -36.53 81.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 72.13 110.858 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.677 ' CB ' HD11 ' A' ' 201' ' ' LEU . 12.1 t -66.46 -56.98 8.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.858 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 145' ' ' THR . 2.6 pp -61.93 -34.71 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 63.11 111.133 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.47 ' N ' HD12 ' A' ' 144' ' ' ILE . 15.9 m -65.65 -65.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.25 111.177 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 142' ' ' MET . 1.4 tp -55.57 -33.47 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.112 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.751 HD22 ' CG ' ' A' ' 208' ' ' ARG . 16.4 mt -64.43 -64.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 43.34 110.91 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.88 -45.85 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 71.11 111.121 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.32 -53.41 51.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 74.24 110.884 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.73 ' CZ ' HD13 ' A' ' 108' ' ' LEU . 36.3 t80 -58.37 -55.43 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 73.32 110.845 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' MET . . . . . 0.647 ' SD ' HD13 ' A' ' 212' ' ' ILE . 32.7 tpp -51.93 -58.45 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.855 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -39.95 60.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 65.22 110.885 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -61.39 -49.23 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 73.45 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.1 mm -59.83 -59.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 70.24 111.139 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 18.8 tt -54.68 -34.54 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 70.12 111.097 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.59 -58.81 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 60.21 110.908 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -38.37 69.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 64.04 110.88 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.93 118.26 16.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.55 110.915 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -74.68 175.03 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 75.1 110.903 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 10.1 m -152.29 45.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 62.25 111.142 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -56.97 161.52 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.884 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -119.66 -68.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 54.51 110.859 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.8 tt -178.63 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 64.14 110.942 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.13 118.55 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 73.21 110.934 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -37.02 55.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 72.31 110.858 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -104.4 -70.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 73.02 110.873 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' HIS . . . . . 0.706 ' CG ' HD11 ' A' ' 172' ' ' ILE . 0.1 OUTLIER -178.6 170.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 73.5 110.854 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -123.97 149.34 46.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.873 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -35.98 63.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 74.02 110.883 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -52.19 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 73.34 110.838 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -51.11 24.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.891 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.706 HD11 ' CG ' ' A' ' 167' ' ' HIS . 57.4 mt -51.94 -35.19 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 71.22 111.152 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.556 HD23 ' N ' ' A' ' 174' ' ' ASP . 1.5 tt -52.06 -48.73 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.927 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.739 ' O ' HG23 ' A' ' 178' ' ' VAL . 4.7 t70 -50.39 -52.2 39.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 71.23 110.85 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.3 -53.37 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.09 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 180' ' ' VAL . 96.7 t -55.32 -57.28 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.24 111.086 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 99.0 t -50.69 -37.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 74.03 111.164 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 174' ' ' ASP . 92.8 t -64.23 -63.46 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 63.23 111.143 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 183' ' ' ILE . 4.6 p -55.65 -39.25 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.16 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 176' ' ' VAL . 66.6 t -60.89 -46.88 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 72.1 111.174 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.439 ' CB ' HD11 ' A' ' 204' ' ' LEU . 0.1 OUTLIER -68.57 -41.46 79.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.853 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -55.34 -60.49 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.885 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 179' ' ' VAL . 3.5 tt -60.0 -45.32 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 74.31 111.09 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.423 ' N ' HG23 ' A' ' 183' ' ' ILE . 34.0 tp -58.61 -39.22 79.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 62.54 110.908 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' ASP . . . . . 0.474 ' OD1' HD23 ' A' ' 201' ' ' LEU . 2.3 t70 -63.93 -56.8 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 62.5 110.847 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.9 pt -61.07 -40.0 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 75.43 111.151 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 183' ' ' ILE . 24.3 t -58.4 -54.04 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.23 111.11 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -30.59 70.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 71.31 110.887 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.61 HD21 ' HB1' ' A' ' 136' ' ' ALA . 1.9 tm? -61.04 -49.71 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.935 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -80.75 -37.51 30.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.918 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -51.87 106.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 60.32 110.958 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 59.3 172.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 73.25 110.849 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -88.87 48.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 61.32 110.826 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -94.56 89.35 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.6 -30.58 21.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 72.43 110.851 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -50.01 -31.24 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.846 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -48.8 -32.94 9.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 62.04 111.089 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 1.5 mp -48.29 -34.68 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.914 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' GLY . . . . . 0.679 ' HA2' HD12 ' A' ' 202' ' ' ILE . . . -50.05 -36.54 28.09 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.761 -0.733 . . . . 74.32 112.5 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.506 ' HA ' HD21 ' A' ' 203' ' ' LEU . 4.5 mm? -57.23 -44.65 83.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 75.23 110.961 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.677 HD11 ' CB ' ' A' ' 143' ' ' SER . 2.9 tm? -66.99 -44.02 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 51.44 110.924 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ILE . . . . . 0.679 HD12 ' HA2' ' A' ' 199' ' ' GLY . 7.8 mt -55.07 -58.26 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 72.43 111.153 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 204' ' ' LEU . 2.4 pp -58.68 -42.28 88.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 42.31 110.901 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 203' ' ' LEU . 0.0 OUTLIER -49.97 -60.63 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.951 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 205' ' ' ARG . . . . . 0.602 ' O ' HG12 ' A' ' 209' ' ' VAL . 14.5 ptm180 -63.0 -32.0 73.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 73.01 110.825 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 7.3 tt -56.6 -68.03 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 63.11 110.919 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -63.13 -33.07 74.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.916 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.751 ' CG ' HD22 ' A' ' 147' ' ' LEU . 15.1 tpt180 -62.45 -68.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.866 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 209' ' ' VAL . . . . . 0.732 HG22 ' CD1' ' A' ' 213' ' ' ILE . 8.4 p -56.6 -34.68 42.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 53.54 111.153 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -67.32 -36.4 81.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 74.31 111.108 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -55.08 10.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 54.12 110.88 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 212' ' ' ILE . . . . . 0.647 HD13 ' SD ' ' A' ' 151' ' ' MET . 5.4 tp -56.54 -44.98 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.3 111.116 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 213' ' ' ILE . . . . . 0.732 ' CD1' HG22 ' A' ' 209' ' ' VAL . 78.0 mt -64.11 -60.29 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 73.42 111.169 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 214' ' ' ASN . . . . . 0.631 ' O ' HG23 ' A' ' 218' ' ' ILE . 11.0 t30 -51.94 -29.71 21.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.53 110.909 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.72 -54.32 10.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 70.31 112.496 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.0 tt -59.55 -33.86 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 64.02 111.116 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 217' ' ' ILE . . . . . 0.529 HG22 ' HE3' ' A' ' 221' ' ' LYS . 7.8 mm -68.58 -57.46 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.22 111.136 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 214' ' ' ASN . 29.4 pt -59.87 -29.53 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 72.12 111.17 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 58.3 m -76.49 -35.78 58.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 75.02 110.873 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 220' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 216' ' ' ILE . 42.4 t -77.45 -38.31 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 40.32 111.105 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 221' ' ' LYS . . . . . 0.529 ' HE3' HG22 ' A' ' 217' ' ' ILE . 7.8 ptpt -71.69 -36.81 70.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.52 110.899 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 9.9 t -72.78 -29.6 63.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.12 111.123 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 29.08 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.866 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 7.7 t -142.64 -169.94 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.826 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -35.08 75.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 62.32 110.878 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 65.43 110.878 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.897 0.379 . . . . 64.41 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -117.31 56.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 61.13 110.879 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -131.34 -176.54 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 71.53 110.911 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -121.74 36.4 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 72.35 110.873 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 85' ' ' PRO . . . 63.47 160.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 64.41 111.102 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 84' ' ' ALA . 53.9 Cg_endo -69.77 156.25 63.81 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.635 2.223 . . . . 70.43 112.389 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.4 mt -128.9 -67.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.925 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.11 -33.58 70.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 65.03 110.855 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 92' ' ' LEU . 23.0 t80 -71.73 -58.95 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 64.22 110.89 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -60.56 -25.36 66.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.877 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.91 -43.95 39.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 54.5 112.498 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 57.4 ttp -70.25 -38.86 75.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 72.11 110.832 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 88' ' ' PHE . 4.6 mt -69.07 -50.14 51.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 74.33 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -62.9 -44.72 95.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 65.02 110.878 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -38.74 89.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 70.55 110.898 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.67 -61.06 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.895 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.619 ' CE2' HG11 ' A' ' 103' ' ' VAL . 47.6 t80 -55.6 -48.28 75.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.2 110.891 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 t -59.47 -50.71 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 74.42 110.865 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.3 t -52.51 -52.61 53.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 70.14 110.832 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.451 ' CB ' HG23 ' A' ' 103' ' ' VAL . 15.0 m170 -67.47 -72.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 75.52 110.873 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 69.05 -75.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.904 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -62.16 -55.92 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 105' ' ' ILE . 5.5 tp60 -51.92 -45.77 64.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 72.11 110.933 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.619 HG11 ' CE2' ' A' ' 96' ' ' PHE . 64.7 t -59.73 -51.93 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.52 111.138 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.2 mt -57.94 -45.64 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 61.1 111.172 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.701 ' O ' HG23 ' A' ' 109' ' ' VAL . 9.7 mt -58.24 -64.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 64.45 111.132 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.2 mm -51.61 -55.91 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 74.51 111.107 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.2 m -51.94 -45.65 64.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.87 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.487 ' C ' HD13 ' A' ' 108' ' ' LEU . 3.1 tm? -62.47 -40.74 97.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.962 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 105' ' ' ILE . 74.3 t -60.34 -56.43 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 73.25 111.121 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.471 ' O ' HD23 ' A' ' 114' ' ' LEU . 7.5 p -64.45 -37.32 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 65.43 111.166 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.4 mt -65.05 -64.35 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 70.3 110.908 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 116' ' ' VAL . 35.8 t70 -53.26 -45.96 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 61.34 110.826 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.21 75.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 61.11 111.078 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 110' ' ' VAL . 2.5 mm? -59.9 -49.89 75.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.948 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.01 -59.77 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 34.25 110.867 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.583 HG22 ' NH1' ' A' ' 205' ' ' ARG . 66.8 t -52.68 -56.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 61.13 111.137 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.9 tp -54.16 -51.04 65.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.952 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.75 -52.71 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 73.31 111.093 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -63.42 -35.33 80.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 70.03 110.904 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.5 tp -63.82 -56.33 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 64.02 110.898 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 pt -63.05 -33.18 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 71.54 111.147 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -56.79 13.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 70.13 110.924 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.98 -34.98 77.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 72.43 110.845 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.16 -32.5 71.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 65.32 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -86.13 -32.94 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 63.33 110.869 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.1 mp 61.31 95.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.13 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 36.8 mm -68.1 -29.28 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 70.13 111.136 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -149.66 152.85 35.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 73.53 110.923 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 79.06 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.678 2.252 . . . . 74.44 112.335 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -175.62 122.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.866 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -149.42 -169.22 3.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 64.44 110.953 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 51.43 43.61 29.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 63.31 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.88 -75.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 70.14 110.898 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -76.39 -60.49 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 70.33 110.961 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.38 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 40.44 111.08 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.25 71.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.15 111.043 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -54.18 49.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 64.41 110.85 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 70.3 t -50.41 -56.19 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.44 111.115 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -56.98 -38.8 73.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.436 ' HA ' HD21 ' A' ' 201' ' ' LEU . 3.4 t-80 -64.16 -53.88 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 75.51 110.86 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 145' ' ' THR . 3.3 m-30 -55.49 -39.71 70.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.929 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.7 ttt -68.38 -37.86 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 51.34 110.906 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.4 t -69.37 -46.77 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.832 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 148' ' ' VAL . 8.0 tp -65.79 -34.7 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 54.24 111.156 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 141' ' ' TYR . 11.7 p -68.43 -52.94 27.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.22 111.123 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.18 -34.24 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.2 111.129 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.613 HD11 ' HA ' ' A' ' 205' ' ' ARG . 11.8 mt -67.39 -59.96 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.916 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 144' ' ' ILE . 61.3 t -59.69 -40.27 81.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.11 111.149 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -60.05 -52.43 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.928 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.554 ' CD2' HG21 ' A' ' 212' ' ' ILE . 3.9 t80 -57.46 -55.52 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.32 110.894 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.35 -55.33 32.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 65.41 110.877 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 1.1 mmt -52.06 -41.95 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 63.45 110.861 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.13 -50.67 72.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.606 HD13 ' HB3' ' A' ' 158' ' ' LEU . 41.5 mm -56.59 -59.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 61.5 111.09 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 171' ' ' GLU . 0.5 OUTLIER -57.52 -34.9 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 65.04 111.139 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.03 -62.66 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 52.15 110.889 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -177.04 51.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 71.35 110.941 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' A' ' 154' ' ' ILE . 0.1 OUTLIER -136.3 33.39 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 73.24 110.864 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -132.41 -169.61 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 60.35 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.46 146.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 63.43 111.148 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 63.39 165.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.875 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.01 71.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 64.21 110.891 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.8 mt -148.16 119.56 7.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.903 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -53.47 111.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 64.2 110.867 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -40.27 61.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 73.25 110.864 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.2 -170.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.88 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -59.29 135.79 57.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 73.35 110.852 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.611 ' O ' HG22 ' A' ' 172' ' ' ILE . 0.2 OUTLIER -155.68 161.29 40.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 63.43 110.85 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -54.66 -47.36 73.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.15 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -78.11 -36.0 48.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 74.52 110.906 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.576 ' HB2' HD11 ' A' ' 155' ' ' ILE . 11.0 tm-20 -57.74 -55.79 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 63.51 110.818 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.611 HG22 ' O ' ' A' ' 168' ' ' HIS . 0.6 OUTLIER -61.78 -35.24 66.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.41 111.159 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.548 ' O ' HG23 ' A' ' 177' ' ' VAL . 1.8 tt -58.66 -42.74 89.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 64.23 110.895 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.563 ' O ' HG23 ' A' ' 178' ' ' VAL . 82.8 m-20 -50.58 -51.02 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.894 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.754 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -55.68 -56.23 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 62.3 111.094 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 42.0 t -53.18 -52.61 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.11 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 173' ' ' LEU . 93.4 t -50.95 -47.57 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.42 111.087 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 174' ' ' ASP . 99.6 t -64.09 -34.0 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.157 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 175' ' ' ALA . 67.8 t -65.87 -47.36 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.34 111.128 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.57 -41.35 85.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 65.31 111.182 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.54 ' C ' HD21 ' A' ' 204' ' ' LEU . 5.4 p -68.15 -48.27 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.846 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' PHE . . . . . 0.529 ' CE1' HD13 ' A' ' 186' ' ' ILE . 35.0 t80 -61.13 -50.1 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.891 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 187' ' ' VAL . 94.0 mt -61.1 -46.84 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.21 111.195 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.7 -39.96 74.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 70.41 110.884 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' ASP . . . . . 0.594 ' HA ' HD22 ' A' ' 200' ' ' LEU . 66.0 t0 -65.0 -57.44 8.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 71.32 110.842 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.529 HD13 ' CE1' ' A' ' 182' ' ' PHE . 25.8 pt -59.72 -36.6 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 63.14 111.161 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 183' ' ' ILE . 23.5 t -62.37 -54.46 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 73.21 111.117 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.407 HD22 HD11 ' A' ' 200' ' ' LEU . 0.2 OUTLIER -63.92 -28.76 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 64.51 110.951 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' A' ' 197' ' ' ALA . 18.1 tp -66.19 -49.8 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 60.01 110.87 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -77.38 -34.89 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.85 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -90.1 -166.62 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 71.03 110.924 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 68.22 -80.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 74.31 110.917 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.67 34.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.877 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 58.16 174.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 63.12 110.914 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 2.9 t80 59.44 171.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 73.22 110.81 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 51.06 35.01 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 73.54 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.68 ' HB3' HD13 ' A' ' 189' ' ' LEU . . . -113.31 -33.72 5.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 61.53 111.115 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.601 HD22 ' H ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -49.16 -35.75 17.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.943 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -50.01 -50.51 32.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 62.51 112.507 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.594 HD22 ' HA ' ' A' ' 185' ' ' ASP . 0.3 OUTLIER -51.77 -43.19 62.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 64.31 110.938 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' ' 140' ' ' HIS . 12.3 tp -63.27 -41.8 99.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.943 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 198' ' ' LEU . 1.6 mp -60.79 -62.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.194 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 200' ' ' LEU . 0.3 OUTLIER -52.23 -37.68 55.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 70.21 110.931 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 200' ' ' LEU . 3.2 mp -59.57 -56.95 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 72.32 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 205' ' ' ARG . . . . . 0.613 ' HA ' HD11 ' A' ' 147' ' ' LEU . 54.9 ttp180 -61.43 -37.67 84.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.881 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 26.2 mt -58.62 -47.48 84.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 54.32 110.916 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -64.17 -53.1 54.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.897 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.596 ' HB3' HD22 ' A' ' 147' ' ' LEU . 3.5 mmt-85 -58.13 -61.6 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.891 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 209' ' ' VAL . . . . . 0.644 ' HA ' HD12 ' A' ' 212' ' ' ILE . 82.9 t -49.09 -56.32 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 71.33 111.11 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.45 -54.69 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 22.04 111.089 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -55.8 -46.41 78.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.15 110.869 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 212' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 209' ' ' VAL . 18.2 mt -54.56 -69.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 65.41 111.169 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 213' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 213' ' ' ILE . 4.0 mp -52.83 -58.78 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 72.22 111.13 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -50.09 -28.79 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.831 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -74.28 -48.93 13.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 62.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.4 tt -67.58 -34.51 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 75.15 111.104 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 13.7 mm -72.34 -49.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 55.55 111.104 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 7.6 tt -64.33 -32.82 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 51.1 111.136 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 8.9 t -77.57 -35.15 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 74.33 110.829 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 220' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 216' ' ' ILE . 18.6 t -77.14 -36.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 61.41 111.114 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -76.14 -36.46 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.54 110.938 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 7.2 t -73.18 -30.93 63.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 65.45 111.13 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -102.57 -74.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.51 110.907 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.4 p 52.86 -171.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.886 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -110.39 -34.71 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.55 110.879 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 43.24 110.876 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.0 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.932 0.396 . . . . 75.22 110.843 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -129.17 -74.02 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 74.2 110.852 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.0 88.19 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.864 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -177.86 66.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 73.21 110.845 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' A' ' 85' ' ' PRO . . . -69.79 160.45 79.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 75.2 111.113 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' A' ' 84' ' ' ALA . 53.2 Cg_endo -69.83 174.36 9.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.638 2.226 . . . . 74.22 112.332 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.404 ' C ' HD12 ' A' ' 86' ' ' LEU . 2.5 pp -158.88 -38.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.935 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.63 -35.83 20.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.819 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' A' ' 92' ' ' LEU . 26.7 t80 -71.84 -58.4 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 65.4 110.913 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.822 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -53.24 -36.73 61.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 63.23 110.85 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.34 -43.68 94.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 62.21 112.488 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.454 ' O ' HD23 ' A' ' 95' ' ' LEU . 10.2 tmm? -64.81 -38.88 92.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 73.43 110.9 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.822 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.2 mt -65.53 -53.79 37.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.14 110.909 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -58.97 -41.9 88.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 62.15 110.853 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -66.48 -37.66 85.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.953 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 91' ' ' MET . 1.4 mm? -64.39 -52.71 56.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 51.11 110.89 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.97 -38.23 90.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 51.32 110.828 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.4 m -61.38 -53.29 58.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.84 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -57.76 10.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 70.52 110.841 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.805 ' HB3' HD11 ' A' ' 104' ' ' ILE . 21.5 m170 -53.76 -36.17 62.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 75.43 110.839 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.1 mtt85 63.11 104.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 54.02 110.875 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CD1' HG12 ' A' ' 220' ' ' VAL . 15.4 m-85 -51.9 -49.49 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 63.53 110.926 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.504 ' HA ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -52.05 -57.58 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 70.14 110.934 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.63 -47.94 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 72.21 111.122 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.805 HD11 ' HB3' ' A' ' 99' ' ' HIS . 42.1 mt -56.81 -46.93 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.151 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.877 HD11 HG11 ' A' ' 220' ' ' VAL . 7.4 mt -59.18 -63.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 71.34 111.088 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 110' ' ' VAL . 25.3 pt -53.58 -33.38 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 70.22 111.136 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.83 -57.78 9.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.852 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.6 tp -61.34 -45.1 95.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.01 110.918 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 105' ' ' ILE . 97.4 t -53.48 -55.73 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.12 111.087 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 106' ' ' ILE . 99.6 t -61.8 -49.89 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 70.12 111.099 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.07 -57.81 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 71.52 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 116' ' ' VAL . 1.2 t70 -63.72 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 73.1 110.897 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.14 -52.91 60.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 61.32 111.134 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.59 -32.34 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 61.52 110.925 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 146' ' ' ILE . 0.7 OUTLIER -69.31 -56.19 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.889 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 112' ' ' ASP . 92.6 t -62.15 -44.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 64.05 111.151 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.38 -54.2 46.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.126 -0.488 . . . . 70.44 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.91 -53.27 55.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 23.01 111.103 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.71 -36.05 79.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.874 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -56.56 20.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 75.35 110.882 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.7 pt -64.76 -34.12 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.121 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -53.88 53.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 65.23 110.946 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -74.47 -36.09 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 61.33 110.856 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.97 -35.89 71.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 75.2 110.946 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -50.93 43.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 63.41 110.926 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.69 HG23 ' O ' ' A' ' 126' ' ' ILE . 6.6 tp -100.77 83.37 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 71.12 111.158 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 127' ' ' ILE . 50.3 mm -66.97 -16.52 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 74.03 111.167 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 69.0 153.68 0.14 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 72.21 110.922 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -33.19 17.06 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.264 . . . . 63.3 112.346 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -158.27 -168.15 2.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.868 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.59 -167.89 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 71.01 110.93 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 51.64 79.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 55.24 110.86 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.38 -169.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.893 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.451 ' O ' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -51.6 -36.03 43.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.985 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.33 -52.17 55.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 74.42 111.125 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.11 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 34.11 111.115 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.59 -54.24 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.886 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 134' ' ' TYR . 72.2 t -60.26 -56.13 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 51.41 111.131 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -52.63 -50.91 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 70.43 110.902 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.792 ' CE1' HD13 ' A' ' 201' ' ' LEU . 29.9 t60 -56.75 -53.13 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 53.45 110.838 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.462 ' O ' HG23 ' A' ' 145' ' ' THR . 0.2 OUTLIER -52.38 -41.9 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 73.54 110.923 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -37.6 85.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 74.24 110.914 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.602 ' CB ' HD21 ' A' ' 201' ' ' LEU . 0.6 OUTLIER -69.11 -49.99 52.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.886 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 148' ' ' VAL . 8.0 tp -62.68 -35.92 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 72.51 111.141 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 141' ' ' TYR . 13.9 p -67.41 -55.05 15.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.41 111.107 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.498 HG21 HD11 ' A' ' 115' ' ' LEU . 32.1 mm -58.15 -39.87 74.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 75.54 111.122 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 205' ' ' ARG . 26.4 tp -63.86 -56.76 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.873 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.656 HG22 HG11 ' A' ' 178' ' ' VAL . 92.9 t -59.7 -54.87 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.128 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -51.72 -54.29 29.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 60.42 110.828 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -54.17 -43.94 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 70.52 110.842 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -56.64 18.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 71.11 110.848 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -42.43 70.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 65.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -58.35 -61.38 2.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.838 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.0 mm -51.58 -60.2 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.128 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 43.7 mm -51.32 -44.33 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.01 111.158 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -54.36 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 70.33 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 46.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.898 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.652 HD21 HG23 ' A' ' 104' ' ' ILE . 2.4 mp 51.95 36.19 17.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 54.24 110.913 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -163.87 172.31 14.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.897 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 38.3 t -52.67 148.1 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 63.43 111.151 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -108.97 107.77 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.86 117.42 3.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.909 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.4 tt -53.59 103.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 73.23 110.874 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -122.33 137.25 54.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.892 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -53.06 -36.21 60.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.31 110.843 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -55.39 171.73 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 74.24 110.852 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -179.19 151.0 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 65.21 110.873 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -92.18 169.58 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 61.33 110.814 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -55.82 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 60.31 110.886 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -52.97 -42.66 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.12 -35.81 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.859 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 51.3 mm -51.45 -47.32 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.01 111.117 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.1 tt -54.9 -53.49 54.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 62.2 110.949 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.599 ' N ' HD23 ' A' ' 173' ' ' LEU . 1.0 OUTLIER -51.56 -47.65 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.841 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -52.91 -56.85 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.166 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.564 ' O ' HG23 ' A' ' 180' ' ' VAL . 22.1 t -57.02 -39.71 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.135 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 173' ' ' LEU . 97.3 t -56.87 -64.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 64.33 111.139 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' VAL . . . . . 0.656 HG11 HG22 ' A' ' 148' ' ' VAL . 31.6 m -55.47 -33.43 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 63.53 111.128 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 175' ' ' ALA . 41.9 t -66.1 -59.93 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.159 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 176' ' ' VAL . 60.5 t -54.62 -34.23 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 71.24 111.103 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 19.7 m -68.2 -51.28 47.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 63.03 110.852 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 186' ' ' ILE . 31.1 t80 -55.36 -51.62 66.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 71.11 110.868 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ILE . . . . . 0.49 ' O ' HG23 ' A' ' 187' ' ' VAL . 1.0 OUTLIER -62.32 -40.63 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 51.21 111.105 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.45 -53.04 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.933 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.73 -56.72 17.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.11 110.852 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 182' ' ' PHE . 18.4 pt -59.49 -34.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 65.22 111.121 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 183' ' ' ILE . 2.0 t -59.84 -53.18 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 70.44 111.136 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.404 ' N ' HG12 ' A' ' 187' ' ' VAL . 73.8 mt -65.68 -32.95 74.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.904 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 197' ' ' ALA . 1.3 tp -60.42 -50.25 74.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 70.43 110.884 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -70.91 -35.13 72.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 70.54 110.89 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -61.61 -165.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 73.42 110.916 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -92.42 25.96 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 65.45 110.893 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -95.9 44.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 74.51 110.865 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -45.14 131.63 7.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.946 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 7.6 t80 63.66 35.5 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.05 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.66 30.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.905 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.466 ' HB3' HD12 ' A' ' 189' ' ' LEU . . . -118.72 -48.33 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 73.12 111.071 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 15.0 mt -51.2 -34.76 33.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 65.32 110.899 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -48.83 -44.95 31.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 44.4 112.534 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.557 ' HA ' HD21 ' A' ' 203' ' ' LEU . 4.5 mm? -49.37 -45.09 45.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 71.2 110.948 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.792 HD13 ' CE1' ' A' ' 140' ' ' HIS . 9.6 tp -67.51 -43.18 81.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 53.41 110.942 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 14.9 mm -56.66 -58.28 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.118 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 200' ' ' LEU . 0.9 OUTLIER -56.55 -45.55 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 54.13 110.909 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.725 HD13 ' HE1' ' A' ' 207' ' ' TRP . 0.8 OUTLIER -50.6 -60.71 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 62.34 110.923 179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 205' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 209' ' ' VAL . 0.0 OUTLIER -61.95 -34.29 75.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.897 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 26.0 tp -55.94 -70.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 207' ' ' TRP . . . . . 0.725 ' HE1' HD13 ' A' ' 204' ' ' LEU . 11.2 p-90 -59.31 -32.56 70.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 64.54 110.885 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -61.41 -75.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 74.23 110.834 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 209' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 205' ' ' ARG . 19.5 m -51.9 -33.05 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 71.21 111.113 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -59.84 -69.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 74.23 111.086 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -41.6 59.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.888 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 31.5 mm -60.15 -74.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 62.33 111.12 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 213' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 209' ' ' VAL . 4.4 mt -50.43 -59.46 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 62.02 111.115 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -50.6 -36.8 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 63.23 110.91 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -65.28 -42.95 95.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.796 -0.716 . . . . 41.43 112.457 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.586 ' O ' HG13 ' A' ' 220' ' ' VAL . 0.4 OUTLIER -67.79 -32.98 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 75.24 111.102 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 217' ' ' ILE . . . . . 0.403 HG22 ' HE2' ' A' ' 221' ' ' LYS . 36.7 mm -71.56 -41.22 72.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 62.21 111.14 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.409 ' HA ' ' HG2' ' A' ' 221' ' ' LYS . 19.9 tt -74.25 -27.93 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 60.13 111.119 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 28.4 t -77.13 -35.84 55.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.863 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 220' ' ' VAL . . . . . 0.877 HG11 HD11 ' A' ' 105' ' ' ILE . 35.8 m -78.57 -39.46 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 61.22 111.1 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 221' ' ' LYS . . . . . 0.409 ' HG2' ' HA ' ' A' ' 218' ' ' ILE . 6.9 ptpt -69.83 -36.72 75.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 64.54 110.901 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 7.5 t -74.32 -30.94 62.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 70.44 111.168 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.48 135.15 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.832 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.1 t 179.41 157.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 62.54 110.859 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -82.93 -35.03 26.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 44.24 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.13 110.826 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.954 0.406 . . . . 72.33 110.8 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -119.17 61.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 73.42 110.86 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.24 -49.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.52 110.886 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.42 46.25 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 54.35 110.87 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 85' ' ' PRO . . . -90.25 160.4 39.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.555 0.693 . . . . 64.14 111.087 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 84' ' ' ALA . 54.5 Cg_endo -69.71 136.86 34.2 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 41.2 112.373 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 mt -121.45 -69.94 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 61.22 110.915 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.44 -45.42 76.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 70.22 110.858 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.651 ' CE1' HD23 ' A' ' 92' ' ' LEU . 5.6 t80 -56.19 -48.0 77.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 73.42 110.845 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.554 ' HA ' HD21 ' A' ' 92' ' ' LEU . 6.7 mpt_? -59.21 -29.55 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.864 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.25 -51.2 7.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 44.11 112.498 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.6 ptm -57.47 -42.57 82.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 51.31 110.861 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 93' ' ' ARG . 4.7 pp -74.16 -35.73 64.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 74.41 110.889 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.666 ' N ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -60.0 -47.16 86.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.832 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -34.32 57.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.23 -50.26 73.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.669 ' CD2' HD21 ' A' ' 158' ' ' LEU . 0.2 OUTLIER -76.06 -49.18 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.892 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.0 t -52.3 -36.17 52.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.855 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -86.82 -35.73 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 22.41 110.852 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -56.85 -63.3 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 72.45 110.895 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -163.39 68.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.563 ' HA ' HD12 ' A' ' 104' ' ' ILE . 73.8 t80 -54.6 -45.74 73.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.878 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -55.9 -56.14 24.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 64.11 110.935 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.5 t -52.03 -46.9 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 63.4 111.139 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.587 HD11 ' HD1' ' A' ' 96' ' ' PHE . 33.1 mt -55.59 -60.84 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.21 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.9 mm -53.01 -59.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 73.3 111.164 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.6 mm -51.5 -36.37 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 63.21 111.157 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.401 ' HA ' HG12 ' A' ' 110' ' ' VAL . 3.6 m -69.89 -34.35 73.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 61.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.65 -48.01 50.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 61.1 110.935 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 110' ' ' VAL . 19.5 m -63.36 -42.94 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 54.14 111.118 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.431 ' N ' HG23 ' A' ' 109' ' ' VAL . 8.8 p -70.29 -33.5 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 53.31 111.142 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.406 HD22 ' CG2' ' A' ' 146' ' ' ILE . 11.6 mt -66.22 -55.75 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.926 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.48 ' O ' HG23 ' A' ' 116' ' ' VAL . 1.2 m-20 -63.57 -41.31 98.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.87 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.38 89.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 61.35 111.112 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 110' ' ' VAL . 3.0 mm? -63.74 -47.08 82.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.93 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.83 -59.77 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.932 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 112' ' ' ASP . 85.2 t -52.57 -56.02 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 65.24 111.149 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.2 tt -53.82 -47.33 70.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 73.11 110.932 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.2 -47.51 68.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 63.12 111.123 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -62.77 -43.6 98.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.72 -56.62 18.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 73.3 110.942 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.3 pt -63.1 -33.48 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.13 111.111 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.31 -54.66 44.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.921 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -66.75 -47.72 71.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.24 110.881 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.2 mp -57.52 -31.32 65.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 54.41 110.943 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.502 ' HB3' HD12 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -69.51 -50.64 43.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.862 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.702 HG23 ' OE1' ' A' ' 128' ' ' GLN . 3.1 mp -132.93 95.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.197 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.99 -14.1 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.02 111.113 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.702 ' OE1' HG23 ' A' ' 126' ' ' ILE . 4.8 mp0 -60.05 153.75 54.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 62.04 110.89 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 78.82 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.688 2.259 . . . . 71.45 112.326 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -129.69 61.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.876 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 135' ' ' ALA . 13.0 mtmt -140.12 -165.72 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 62.32 110.938 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 65.06 35.17 8.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 54.1 110.877 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.5 t30 179.31 -80.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 70.35 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -78.24 -60.96 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 43.23 110.94 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 131' ' ' LYS . . . -57.94 -52.15 66.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 72.21 111.094 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -54.88 -44.36 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.51 111.075 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -53.49 57.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.885 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.31 -56.34 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 55.31 111.102 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -51.95 -51.46 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 73.43 110.865 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.54 ' CG ' HD23 ' A' ' 201' ' ' LEU . 26.4 m170 -62.83 -48.27 79.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.874 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -51.82 -54.32 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.914 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.1 ttp -62.08 -38.71 89.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 74.52 110.881 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.705 ' HB3' HD11 ' A' ' 201' ' ' LEU . 1.9 t -63.87 -67.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 64.43 110.849 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 145' ' ' THR . 2.5 pp -50.84 -36.45 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 74.41 111.143 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.427 ' N ' HD12 ' A' ' 144' ' ' ILE . 11.2 m -60.8 -55.77 29.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 61.04 111.135 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.406 ' CG2' HD22 ' A' ' 111' ' ' LEU . 39.2 mm -65.56 -48.59 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.02 111.137 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.1 tp -54.68 -59.9 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 64.52 110.945 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.07 -37.67 69.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 73.5 111.131 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -54.9 -62.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.939 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.7 -42.06 87.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.88 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -59.46 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.901 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 2.2 ttt -57.45 -37.13 72.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 71.52 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -52.48 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.3 110.874 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 49.7 mm -64.19 -56.55 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 65.32 111.106 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 80.9 mt -51.77 -60.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 61.52 111.154 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -51.96 -49.76 62.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.888 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -51.82 -42.22 62.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 52.34 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.669 HD21 ' CD2' ' A' ' 96' ' ' PHE . 34.4 mt -91.91 75.19 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 64.24 110.952 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -57.34 151.7 15.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.856 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.616 HG11 ' HB2' ' A' ' 168' ' ' HIS . 31.6 m -79.2 168.94 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 71.43 111.121 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.58 123.83 12.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 74.31 110.862 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -39.43 93.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.849 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.71 84.77 3.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.967 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.1 156.77 47.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.846 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -55.73 -47.1 77.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.851 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -150.26 162.45 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.889 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -53.51 137.72 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.616 ' HB2' HG11 ' A' ' 160' ' ' VAL . 1.6 t60 -53.81 131.8 40.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.815 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -36.45 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.895 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -58.39 -47.02 85.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 72.4 110.894 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.24 -55.69 22.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 51.4 mm -63.03 -37.15 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.42 111.149 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 177' ' ' VAL . 1.8 tt -57.07 -51.82 67.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.89 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.724 ' O ' HG23 ' A' ' 178' ' ' VAL . 1.4 m-20 -50.65 -51.56 47.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.859 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -51.85 -54.15 32.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.43 111.086 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 92.7 t -60.1 -39.18 79.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 60.33 111.11 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 173' ' ' LEU . 91.5 t -66.68 -34.41 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.52 111.135 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 174' ' ' ASP . 92.6 t -70.36 -52.75 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 72.51 111.13 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' VAL . . . . . 0.612 HG22 HD12 ' A' ' 183' ' ' ILE . 4.3 p -58.14 -44.84 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.116 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 184' ' ' LEU . 8.9 p -68.62 -33.04 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 63.55 111.127 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.464 ' C ' HD21 ' A' ' 204' ' ' LEU . 0.4 OUTLIER -64.19 -53.64 46.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 44.02 110.85 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -62.78 -49.13 76.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 73.42 110.855 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 179' ' ' VAL . 88.3 mt -57.76 -55.88 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 65.03 111.126 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.582 ' CD1' HG22 ' A' ' 180' ' ' VAL . 52.8 mt -57.32 -35.38 69.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.887 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' ASP . . . . . 0.531 ' O ' HD13 ' A' ' 200' ' ' LEU . 6.0 t70 -61.02 -56.98 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 52.11 110.835 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 14.1 pt -65.92 -41.57 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 52.44 111.154 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 183' ' ' ILE . 46.9 t -54.5 -53.94 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 65.14 111.124 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.757 ' HB3' HD11 ' A' ' 200' ' ' LEU . 0.0 OUTLIER -69.89 -32.07 70.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.918 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 197' ' ' ALA . 1.2 tp -55.33 -50.79 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 43.43 110.926 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -81.02 -25.38 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.899 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -49.46 -71.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 54.45 110.887 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -85.59 -28.87 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.85 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.24 32.22 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.02 110.853 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -178.36 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.873 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -52.03 -26.91 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.54 110.855 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.29 -34.42 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 64.14 110.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 200' ' ' LEU . . . -51.05 -54.47 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 52.52 111.087 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 202' ' ' ILE . 4.3 mp -51.13 -40.16 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.942 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -51.48 -48.71 48.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 72.13 112.528 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.757 HD11 ' HB3' ' A' ' 188' ' ' LEU . 3.4 mt -51.02 -41.26 59.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 73.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 143' ' ' SER . 0.2 OUTLIER -67.42 -48.15 68.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.928 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 198' ' ' LEU . 1.4 mp -52.58 -59.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.141 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.631 HD13 ' CH2' ' A' ' 207' ' ' TRP . 1.2 pp -56.62 -44.41 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 63.24 110.891 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 203' ' ' LEU . 1.6 mp -50.98 -61.04 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 60.22 110.938 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 205' ' ' ARG . . . . . 0.565 ' O ' HG22 ' A' ' 209' ' ' VAL . 0.1 OUTLIER -58.7 -35.44 72.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.25 110.916 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 206' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 210' ' ' ALA . 1.6 tt -59.2 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 51.45 110.966 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 207' ' ' TRP . . . . . 0.631 ' CH2' HD13 ' A' ' 203' ' ' LEU . 29.1 m0 -61.22 -46.88 88.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.42 110.951 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.546 ' NH2' HG11 ' A' ' 177' ' ' VAL . 0.0 OUTLIER -56.57 -68.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.886 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 209' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 205' ' ' ARG . 17.0 m -51.33 -32.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 54.22 111.126 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 210' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 206' ' ' LEU . . . -60.08 -68.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.44 111.079 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -51.38 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.914 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 42.6 mm -52.87 -69.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.02 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 49.1 mt -50.15 -59.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.121 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 214' ' ' ASN . . . . . 0.402 ' O ' HG22 ' A' ' 218' ' ' ILE . 5.6 t30 -49.69 -29.16 6.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.03 110.888 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -73.83 -49.87 12.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 75.32 112.476 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.2 tt -66.92 -35.4 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 73.31 111.102 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 217' ' ' ILE . . . . . 0.685 HG22 ' CE ' ' A' ' 221' ' ' LYS . 12.0 mm -70.52 -51.57 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 71.35 111.14 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 214' ' ' ASN . 13.8 tt -64.1 -31.0 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 71.43 111.12 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 25.7 t -76.85 -34.99 57.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.861 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 220' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 216' ' ' ILE . 38.0 t -77.96 -44.11 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 52.24 111.129 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 221' ' ' LYS . . . . . 0.685 ' CE ' HG22 ' A' ' 217' ' ' ILE . 3.7 ptpt -66.32 -37.86 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 60.43 110.888 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.1 t -73.36 -30.4 63.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 64.22 111.164 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -125.53 90.12 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.02 110.901 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 30.5 t -170.56 -73.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 52.31 110.887 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -80.13 -34.84 37.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.899 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 75.23 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.924 0.392 . . . . 45.01 110.811 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -158.99 67.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.897 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.36 -177.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 72.34 110.889 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.85 -75.83 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.9 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 52.22 75.05 0.69 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 64.52 111.111 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 157.27 60.91 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.651 2.234 . . . . 73.51 112.356 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.1 mt -150.49 -69.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 71.34 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -51.44 -37.56 49.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.0 110.867 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 92' ' ' LEU . 33.3 t80 -70.98 -53.99 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.842 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.817 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.2 mmt180 -51.72 -37.81 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 71.24 110.89 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.21 -42.57 97.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 73.33 112.503 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.5 ttm -66.51 -38.21 86.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 73.14 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 89' ' ' ARG . 6.4 mt -65.42 -53.35 44.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.898 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -45.84 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.2 110.864 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -64.94 -35.82 82.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 63.11 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.68 -59.95 3.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 62.25 110.913 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.71 -51.16 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.863 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.6 m -53.27 -54.88 29.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 62.01 110.855 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.2 m -54.85 -46.51 74.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 60.54 110.837 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.419 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -55.91 -67.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.1 110.887 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -52.41 -35.81 52.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 71.43 110.871 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.422 ' C ' HD12 ' A' ' 105' ' ' ILE . 1.4 m-85 -52.98 -60.42 3.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 63.21 110.831 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.18 -34.88 33.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 64.02 110.931 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 99' ' ' HIS . 20.7 t -64.17 -64.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 64.23 111.184 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.4 pt -55.21 -34.86 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.03 111.14 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 109' ' ' VAL . 29.6 mt -70.12 -67.55 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 60.13 111.128 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 110' ' ' VAL . 50.4 mt -51.4 -39.91 22.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 65.42 111.119 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.6 t -66.3 -49.59 66.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 53.31 110.883 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.48 -35.96 80.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.951 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 105' ' ' ILE . 98.7 t -66.96 -51.67 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 45.41 111.182 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 106' ' ' ILE . 93.9 t -58.75 -52.1 64.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 74.42 111.172 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -59.43 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.935 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 116' ' ' VAL . 31.1 t70 -52.1 -44.53 64.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.898 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.03 77.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 63.41 111.148 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -50.7 73.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.905 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -59.66 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 112' ' ' ASP . 91.2 t -51.99 -51.17 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 71.4 111.147 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 24.6 tp -51.88 -55.31 20.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.934 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.91 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 22.33 111.133 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.0 -35.82 79.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 61.34 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.89 -56.49 11.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 73.44 110.905 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 21.4 pt -59.97 -34.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 75.02 111.087 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.01 -56.8 5.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 71.11 110.916 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -58.43 -47.3 84.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 73.53 110.852 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.671 ' O ' HD13 ' A' ' 127' ' ' ILE . 1.0 OUTLIER -51.95 -45.16 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.912 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -54.83 -32.55 60.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.883 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 128' ' ' GLN . 21.1 mm -74.72 -28.65 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 53.45 111.128 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.72 HG22 ' NE2' ' A' ' 128' ' ' GLN . 19.0 mm 72.86 -61.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 52.33 111.171 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.72 ' NE2' HG22 ' A' ' 127' ' ' ILE . 33.5 mm-40 -128.66 153.59 79.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 54.12 110.896 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 107.28 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 70.24 112.304 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -118.61 -44.36 2.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.864 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.562 ' HG2' ' HB2' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -51.89 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.888 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.2 m120 56.98 42.95 25.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 63.51 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.67 -64.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 63.1 110.86 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.91 -56.81 4.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 74.12 110.923 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.562 ' HB2' ' HG2' ' A' ' 131' ' ' LYS . . . -51.46 -52.28 47.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 75.25 111.105 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.4 96.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 64.05 111.1 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -53.95 49.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.875 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.0 t -63.71 -52.18 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.1 111.096 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -51.72 -50.89 59.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 72.42 110.897 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -60.42 -50.82 72.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 73.44 110.83 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.23 -48.4 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.982 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -50.57 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 73.12 110.863 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.702 ' CB ' HD11 ' A' ' 201' ' ' LEU . 1.8 t -52.52 -47.76 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 42.31 110.878 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.597 HG23 ' HB ' ' A' ' 178' ' ' VAL . 41.0 mm -60.41 -49.54 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 75.02 111.081 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 10.4 m -52.68 -46.61 67.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 62.42 111.157 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 43.2 mm -64.74 -45.23 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.32 111.129 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 205' ' ' ARG . 7.1 mt -53.58 -57.91 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 74.03 110.927 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.663 ' CG2' HG11 ' A' ' 178' ' ' VAL . 60.0 t -58.72 -49.13 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 62.23 111.084 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -51.95 -55.63 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.51 110.904 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.577 ' HE2' HD11 ' A' ' 154' ' ' ILE . 1.0 OUTLIER -56.54 -43.93 80.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.883 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -59.13 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 63.3 110.835 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -41.34 76.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 62.52 110.919 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -54.46 -50.42 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 70.42 110.896 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.711 HD13 ' O ' ' A' ' 158' ' ' LEU . 43.5 mm -64.15 -55.92 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 54.55 111.153 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 43.5 mm -52.01 -37.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 74.33 111.112 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.17 -59.92 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.907 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.08 58.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 73.51 110.889 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.711 ' O ' HD13 ' A' ' 154' ' ' ILE . 1.4 mt 69.18 -74.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 64.51 110.895 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -129.66 150.44 50.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.3 110.92 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 7.5 p -176.71 144.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 61.45 111.1 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -103.48 127.05 50.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 71.15 110.913 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -173.63 153.66 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.865 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.4 mp -103.12 36.06 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.874 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 53.56 89.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 74.55 110.881 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -99.93 -42.09 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 61.12 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -146.41 114.46 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 71.31 110.883 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -104.41 152.15 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 63.22 110.867 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -175.27 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 74.14 110.851 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.562 ' O ' HG22 ' A' ' 172' ' ' ILE . 0.0 OUTLIER -73.62 -55.81 5.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 70.12 110.925 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -52.82 -30.12 31.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.905 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -50.77 -33.51 23.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 73.01 110.87 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 176' ' ' VAL . 9.7 tp -50.65 -31.57 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 62.41 111.124 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.5 tm? -52.58 -62.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.902 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -46.65 65.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.862 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.687 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -54.97 -56.56 18.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.24 111.129 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 172' ' ' ILE . 47.2 t -54.72 -37.47 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 65.24 111.125 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 173' ' ' LEU . 89.5 t -60.78 -59.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 74.32 111.075 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' VAL . . . . . 0.663 HG11 ' CG2' ' A' ' 148' ' ' VAL . 32.4 m -60.2 -27.3 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.147 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 175' ' ' ALA . 41.6 t -66.37 -60.61 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 75.31 111.164 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 22.8 m -60.52 -40.87 85.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 71.11 111.161 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.441 ' HB2' HD11 ' A' ' 204' ' ' LEU . 0.8 OUTLIER -62.91 -52.5 62.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 42.53 110.888 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 182' ' ' PHE . . . . . 0.431 ' CE2' HD13 ' A' ' 186' ' ' ILE . 79.7 t80 -55.47 -45.61 76.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 72.42 110.861 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ILE . . . . . 0.668 HD13 HD11 ' A' ' 186' ' ' ILE . 26.2 mm -58.84 -46.94 90.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 71.03 111.135 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.0 -42.54 85.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.947 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' ASP . . . . . 0.495 ' OD1' HD12 ' A' ' 200' ' ' LEU . 2.5 m-20 -60.45 -58.25 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 75.04 110.863 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.668 HD11 HD13 ' A' ' 183' ' ' ILE . 15.5 pt -60.03 -40.89 84.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 70.43 111.108 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 183' ' ' ILE . 21.1 t -58.54 -43.16 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.51 111.149 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -36.27 80.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.882 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 197' ' ' ALA . 22.1 tp -60.99 -50.06 74.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 61.13 110.937 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.51 -25.89 59.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 63.24 110.856 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.05 -69.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.884 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -179.61 -34.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 75.52 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -77.3 57.92 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.885 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -55.92 169.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.933 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 5.3 t80 70.82 -69.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.876 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.46 -25.02 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' A' ' 189' ' ' LEU . . . -48.07 -37.99 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 75.53 111.071 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 59.3 mt -48.81 -35.83 15.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 199' ' ' GLY . . . . . 0.746 ' HA2' HD12 ' A' ' 202' ' ' ILE . . . -51.65 -44.94 54.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 72.13 112.513 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.567 ' HA ' HD21 ' A' ' 203' ' ' LEU . 0.4 OUTLIER -48.84 -49.97 36.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 60.4 110.9 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.702 HD11 ' CB ' ' A' ' 143' ' ' SER . 3.3 tm? -65.58 -36.66 84.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 63.31 110.93 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ILE . . . . . 0.746 HD12 ' HA2' ' A' ' 199' ' ' GLY . 21.7 mt -63.87 -58.56 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 62.42 111.088 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 200' ' ' LEU . 1.8 pp -54.89 -38.34 67.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.874 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 204' ' ' LEU . . . . . 0.553 HD22 HD12 ' A' ' 203' ' ' LEU . 0.3 OUTLIER -62.82 -48.1 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 71.53 110.896 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 205' ' ' ARG . . . . . 0.736 ' HA ' HD11 ' A' ' 147' ' ' LEU . 48.7 ttp180 -58.61 -47.88 82.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.865 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -57.95 6.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 72.15 110.892 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 207' ' ' TRP . . . . . 0.424 ' CE3' HD13 ' A' ' 204' ' ' LEU . 8.5 t90 -52.05 -45.64 64.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 64.11 110.906 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.445 ' CG ' HD22 ' A' ' 147' ' ' LEU . 4.8 tpm_? -61.07 -64.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 73.2 110.864 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 209' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 205' ' ' ARG . 88.0 t -50.18 -58.07 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.143 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.64 -44.77 47.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 73.23 111.079 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -59.36 -50.33 74.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 74.53 110.875 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 45.7 mm -54.18 -61.7 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.111 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 213' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 209' ' ' VAL . 3.7 mp -56.4 -59.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.105 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 214' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 218' ' ' ILE . 65.8 t30 -50.32 -28.56 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.862 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -73.76 -49.14 14.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 63.25 112.507 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 213' ' ' ILE . 0.0 OUTLIER -67.59 -34.13 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 54.42 111.181 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 217' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 213' ' ' ILE . 14.8 mm -71.36 -51.34 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.141 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 218' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 214' ' ' ASN . 8.4 tt -64.32 -32.37 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 60.15 111.119 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 39.3 t -76.88 -33.58 57.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.881 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 220' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 216' ' ' ILE . 9.4 t -76.34 -44.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 64.43 111.166 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -68.45 -37.47 80.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 65.24 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.14 -30.08 63.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 64.44 111.159 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -130.39 79.24 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 73.14 110.853 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 45.6 t -115.05 39.07 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 54.32 110.865 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -179.44 -35.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 65.42 110.861 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 62.52 110.865 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.886 0.374 . . . . 70.23 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.743 ' CE2' HD11 ' A' ' 92' ' ' LEU . 25.1 t80 -71.65 -58.38 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.902 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.764 ' HA ' HD12 ' A' ' 92' ' ' LEU . 6.2 mpt_? -52.75 -38.13 60.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.44 110.854 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.34 -40.27 97.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 52.34 112.473 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.3 ttp -67.71 -39.12 84.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 74.51 110.856 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.764 HD12 ' HA ' ' A' ' 89' ' ' ARG . 7.1 mt -65.2 -53.39 45.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 65.43 110.909 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -44.76 95.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 74.02 110.842 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -66.34 -35.86 81.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.903 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.27 -55.96 17.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 43.41 110.914 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.3 -53.18 60.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.833 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -52.49 -51.91 57.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.802 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.859 -179.785 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.876 0.369 . . . . 64.12 110.864 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -58.11 -42.14 85.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 54.02 110.931 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.06 -35.21 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 75.35 111.118 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 mm -70.67 -58.65 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 45.25 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 109' ' ' VAL . 10.5 tt -52.77 -42.98 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.099 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 110' ' ' VAL . 30.7 mm -68.98 -47.21 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 64.51 111.136 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.403 ' O ' HD23 ' A' ' 111' ' ' LEU . 36.2 t -58.95 -35.78 73.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 63.4 110.898 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -51.79 19.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.917 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 105' ' ' ILE . 89.7 t -56.16 -37.33 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 61.53 111.144 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 106' ' ' ILE . 94.3 t -72.77 -52.79 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 71.45 111.106 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 107' ' ' CYS . 2.4 mm? -53.44 -46.15 69.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 54.11 110.912 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.53 -53.63 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.859 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.86 -43.64 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.121 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.66 -49.71 61.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 43.24 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -53.25 58.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.4 110.941 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 64.7 t -59.57 -56.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 65.23 111.154 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.97 -55.28 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.25 110.916 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.11 -47.08 65.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 73.52 111.085 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.46 -34.27 75.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.935 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.9 tp -66.82 -56.77 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 61.42 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.9 pt -59.42 -34.17 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 64.25 111.146 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.31 -36.32 61.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 64.51 110.932 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -70.4 -36.28 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.898 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -38.68 64.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 50.11 110.911 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -32.84 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 63.33 110.905 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 37.2 mm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 71.54 111.119 179.863 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.818 0.342 . . . . 71.54 110.932 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.405 ' C ' HD11 ' A' ' 189' ' ' LEU . 2.3 m-80 51.73 71.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.867 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.59 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.861 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.45 -60.46 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 71.15 110.921 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.61 -52.18 60.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 54.21 111.085 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.66 74.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 73.51 111.107 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -54.79 33.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 22.2 m -67.64 -30.02 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 73.42 111.172 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -67.61 -50.89 55.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.54 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -66.16 -49.08 68.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 71.52 110.87 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.433 ' O ' HG23 ' A' ' 145' ' ' THR . 2.7 m-85 -57.05 -51.23 70.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 64.22 110.902 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -32.78 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 54.23 110.897 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.765 ' HB3' HD11 ' A' ' 201' ' ' LEU . 10.1 m -67.95 -64.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.855 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.617 HG21 ' CD2' ' A' ' 182' ' ' PHE . 2.0 pp -51.68 -40.81 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.14 111.144 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 141' ' ' TYR . 15.4 p -60.52 -60.79 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 74.14 111.166 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 35.1 mm -57.98 -35.09 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 63.13 111.124 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.63 HD11 ' HA ' ' A' ' 205' ' ' ARG . 2.6 mt -61.0 -65.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 73.53 110.884 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.22 -47.6 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 70.3 111.111 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -51.85 -58.89 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.865 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -59.46 -36.33 75.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 72.43 110.875 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -59.3 5.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 73.45 110.877 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.33 -35.9 81.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 75.32 110.888 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -56.37 -48.46 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.922 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.0 mm -72.61 -53.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.53 111.102 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 47.1 mt -51.66 -35.64 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.43 111.143 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -78.24 -51.29 10.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.843 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 70.34 110.886 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.904 0.383 . . . . 65.12 111.161 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.1 tt -53.01 -48.93 67.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 70.23 110.881 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 178' ' ' VAL . 79.2 m-20 -50.9 -48.2 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 62.31 110.859 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -57.3 -56.46 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.21 111.062 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 26.4 t -55.2 -51.69 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 74.12 111.146 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 173' ' ' LEU . 89.1 t -50.42 -50.1 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.155 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 174' ' ' ASP . 89.7 t -61.46 -38.52 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 73.33 111.13 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 175' ' ' ALA . 86.1 t -59.31 -50.81 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 74.1 111.088 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.458 HG12 HD12 ' A' ' 184' ' ' LEU . 21.8 t -63.06 -44.81 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.131 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.581 ' HB2' HD21 ' A' ' 204' ' ' LEU . 3.8 m -61.25 -53.33 58.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 63.04 110.849 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' PHE . . . . . 0.617 ' CD2' HG21 ' A' ' 144' ' ' ILE . 33.2 t80 -55.93 -58.79 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.876 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 187' ' ' VAL . 32.9 mm -51.45 -48.61 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 54.31 111.111 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 188' ' ' LEU . 16.7 mt -58.9 -37.32 76.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 63.04 110.917 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.76 -58.37 7.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.83 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.481 HD11 HD13 ' A' ' 183' ' ' ILE . 7.9 pt -59.69 -45.3 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 71.43 111.148 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 183' ' ' ILE . 53.8 t -57.69 -40.2 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 63.04 111.168 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.646 HD12 ' OE2' ' A' ' 196' ' ' GLU . 3.6 mm? -75.72 -26.18 57.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 70.34 110.886 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 132' ' ' ASN . 12.8 tp -67.35 -50.29 60.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.955 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -89.63 13.48 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.884 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' GLN . . . . . 0.441 ' HB2' ' HA ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -86.04 -169.39 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.2 110.905 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -101.21 87.48 3.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 61.42 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 63.4 110.858 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.94 161.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.942 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 11.6 t80 51.23 70.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 65.2 110.912 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' GLU . . . . . 0.646 ' OE2' HD12 ' A' ' 188' ' ' LEU . 1.5 pt-20 179.61 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 63.31 110.913 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -55.24 -44.56 75.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 70.13 111.132 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.7 ' O ' HD12 ' A' ' 202' ' ' ILE . 21.8 mt -49.64 -35.65 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 71.11 110.958 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -50.37 -46.5 44.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 73.42 112.521 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 204' ' ' LEU . 4.3 mm? -55.43 -38.56 69.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 75.42 110.898 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 143' ' ' SER . 0.2 OUTLIER -68.08 -47.53 68.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.92 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 198' ' ' LEU . 1.7 mp -54.59 -54.51 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 51.32 111.152 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 200' ' ' LEU . 2.6 pp -62.83 -37.25 86.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.927 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 200' ' ' LEU . 0.2 OUTLIER -55.71 -61.02 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.929 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' ARG . . . . . 0.63 ' HA ' HD11 ' A' ' 147' ' ' LEU . 59.3 ttp85 -64.35 -32.99 74.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.878 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -67.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.944 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.0 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 70.44 110.909 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -71.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 74.34 110.857 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 209' ' ' VAL . . . . . 0.527 HG12 HD13 ' A' ' 213' ' ' ILE . 72.2 t -50.62 -53.45 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 61.24 111.119 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -50.3 -48.93 54.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 63.3 111.104 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -57.44 -48.61 78.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 42.4 mm -54.47 -64.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . 0.527 HD13 HG12 ' A' ' 209' ' ' VAL . 3.8 mp -55.29 -58.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.44 111.171 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -50.12 -28.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.898 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -74.03 -49.72 12.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 75.03 112.509 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.1 tt -66.81 -35.42 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 74.31 111.141 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 217' ' ' ILE . . . . . 0.689 HG22 ' HE2' ' A' ' 221' ' ' LYS . 12.4 mm -70.91 -50.86 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.166 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 13.9 tt -64.41 -31.22 52.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 65.31 111.114 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 82.7 p -76.98 -34.96 57.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 70.33 110.866 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 220' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 216' ' ' ILE . 37.7 t -78.05 -43.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 63.22 111.128 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 221' ' ' LYS . . . . . 0.689 ' HE2' HG22 ' A' ' 217' ' ' ILE . 3.8 ptpt -66.49 -37.83 85.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 70.15 110.866 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.4 -30.33 63.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 55.11 111.146 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -80.01 -46.99 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.87 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 71.01 110.835 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.851 0.357 . . . . 74.23 110.856 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.74 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 22.6 t80 -71.98 -53.17 13.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 73.14 110.902 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.824 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -52.7 -39.78 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 75.44 110.896 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.73 99.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 41.21 112.511 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.457 ' O ' HD23 ' A' ' 95' ' ' LEU . 17.4 ttp -65.3 -40.06 93.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 63.1 110.893 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.9 mt -64.33 -52.57 57.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 70.34 110.915 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.0 mtt-85 -59.37 -43.97 92.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 62.4 110.884 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -35.81 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.893 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 91' ' ' MET . 1.6 mm? -68.19 -52.8 30.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 72.03 110.928 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -39.66 88.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.731 ' OG ' HG11 ' A' ' 103' ' ' VAL . 20.2 t -71.24 -58.46 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.864 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 64.23 110.893 -179.813 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.587 ' HA ' HD12 ' A' ' 104' ' ' ILE . 15.3 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.844 0.354 . . . . 74.32 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -64.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 62.4 110.913 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.731 HG11 ' OG ' ' A' ' 97' ' ' SER . 83.2 t -51.43 -31.45 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.33 111.169 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 101' ' ' PHE . 50.5 mt -69.07 -74.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 64.44 111.163 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 109' ' ' VAL . 2.3 pp -50.91 -35.59 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 75.11 111.089 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 110' ' ' VAL . 68.4 mt -67.39 -49.22 73.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.4 111.126 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.2 -35.97 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 61.03 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -51.79 35.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 61.42 110.896 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 105' ' ' ILE . 91.2 t -57.52 -42.44 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 65.31 111.137 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 106' ' ' ILE . 96.0 t -65.67 -53.45 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 73.14 111.135 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.64 -53.81 54.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.11 110.923 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 116' ' ' VAL . 38.7 t70 -56.08 -59.37 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 74.01 110.851 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.92 63.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 74.35 111.102 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.581 HD12 HG12 ' A' ' 110' ' ' VAL . 5.6 mt -61.54 -56.06 24.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.953 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.27 -48.32 76.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.914 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 112' ' ' ASP . 83.3 t -56.43 -55.52 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.141 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.95 -53.38 57.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 74.43 110.889 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.79 -53.21 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 70.1 111.086 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.04 -36.08 80.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 54.42 110.892 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.56 -56.18 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 43.14 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.3 pt -65.09 -34.13 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 61.33 111.09 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -49.85 73.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.928 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -74.52 -34.76 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.86 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.56 -33.51 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 60.33 110.893 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -90.19 -30.27 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.911 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.096 179.852 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.785 0.326 . . . . 64.21 110.888 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 58.28 34.96 24.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 70.4 110.87 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.34 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 51.12 110.907 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -76.81 -60.47 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.968 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.94 -52.28 63.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 75.31 111.131 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.584 ' CB ' HD11 ' A' ' 189' ' ' LEU . . . -57.63 -38.31 74.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 63.3 111.121 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -53.93 50.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.869 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.01 -48.13 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 55.24 111.135 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -57.78 -50.56 72.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 74.4 110.881 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.718 ' CD2' HD22 ' A' ' 201' ' ' LEU . 12.7 m170 -59.01 -51.88 68.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 71.23 110.811 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -50.63 -54.87 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 60.44 110.905 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.0 ttt -54.27 -55.44 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 73.43 110.918 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.91 -58.42 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 63.45 110.8 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.727 HG21 ' CD2' ' A' ' 182' ' ' PHE . 7.5 mt -54.26 -45.31 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 64.45 111.132 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 94.1 m -51.77 -53.47 39.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 73.54 111.114 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.59 -37.94 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 73.45 111.13 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 208' ' ' ARG . 13.4 tp -59.45 -65.97 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.932 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 37.1 t -54.65 -43.71 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 42.52 111.087 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -51.7 -58.71 5.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.2 110.87 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -48.24 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 62.22 110.902 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 0.522 ' SD ' HD11 ' A' ' 212' ' ' ILE . 5.4 tpt -52.35 -54.39 32.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 72.34 110.894 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -41.02 78.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.11 110.897 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -59.91 -46.21 90.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.879 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.97 -62.04 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 41.13 111.1 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.58 -33.62 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 63.41 111.147 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -67.15 -57.38 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 73.54 110.854 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 73.12 110.885 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.722 ' O ' HG23 ' A' ' 176' ' ' VAL . 74.3 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.895 0.378 . . . . 75.04 111.167 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 173' ' ' LEU . 3.2 tm? -51.7 -54.23 30.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.914 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . 0.642 ' O ' HG23 ' A' ' 178' ' ' VAL . 98.7 m-20 -51.99 -52.07 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 61.25 110.912 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.58 -36.6 69.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 61.53 111.089 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 172' ' ' ILE . 95.3 t -64.03 -59.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 70.24 111.1 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.58 -30.57 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.136 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 174' ' ' ASP . 43.2 t -66.69 -57.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.14 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.47 -35.06 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 55.25 111.09 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 176' ' ' VAL . 57.4 t -64.43 -47.25 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.5 111.122 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.709 ' O ' HD21 ' A' ' 204' ' ' LEU . 1.3 p -65.81 -45.02 83.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 75.03 110.899 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' PHE . . . . . 0.727 ' CD2' HG21 ' A' ' 144' ' ' ILE . 7.3 t80 -56.48 -59.01 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 75.43 110.85 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' ILE . . . . . 0.98 HD12 HD11 ' A' ' 186' ' ' ILE . 8.3 tp -59.38 -35.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 73.44 111.174 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.49 -48.91 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 70.2 110.905 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . 0.572 ' HB2' HD22 ' A' ' 204' ' ' LEU . 3.3 t70 -60.23 -56.54 20.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.876 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.98 HD11 HD12 ' A' ' 183' ' ' ILE . 19.7 pt -57.67 -33.29 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.22 111.125 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 183' ' ' ILE . 2.6 t -70.84 -52.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 70.1 111.12 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -28.85 68.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.885 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.658 HD22 ' CE1' ' A' ' 140' ' ' HIS . 14.8 tp -78.67 -41.38 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.889 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -92.31 14.4 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.878 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -152.83 -179.02 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.904 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.07 -166.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.83 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -51.88 -25.51 8.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.823 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 58.89 -178.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 61.01 110.896 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 74.07 -61.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.91 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -91.29 36.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 71.23 110.923 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -101.94 -20.47 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.44 111.089 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 12.7 mt -45.99 -35.0 4.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.03 -41.69 29.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 62.52 112.471 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.541 ' HA ' HD21 ' A' ' 203' ' ' LEU . 2.4 mm? -55.31 -42.83 74.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 74.41 110.947 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.718 HD22 ' CD2' ' A' ' 140' ' ' HIS . 8.5 tp -66.07 -42.92 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.896 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 14.8 mm -57.25 -59.83 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 72.23 111.118 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.607 HD13 ' CH2' ' A' ' 207' ' ' TRP . 1.0 OUTLIER -55.73 -43.55 76.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.924 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.709 HD21 ' O ' ' A' ' 181' ' ' SER . 1.9 mp -51.55 -60.13 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 72.15 110.923 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 209' ' ' VAL . 2.2 ttt-85 -56.95 -45.14 83.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 73.45 110.839 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.72 -42.95 76.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 70.35 110.91 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . 0.607 ' CH2' HD13 ' A' ' 203' ' ' LEU . 47.7 m0 -64.04 -58.23 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.911 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 208' ' ' ARG . . . . . 0.664 ' HB2' HD11 ' A' ' 147' ' ' LEU . 1.1 mmp_? -55.76 -58.46 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.915 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 209' ' ' VAL . . . . . 0.507 HG12 HD13 ' A' ' 213' ' ' ILE . 95.9 t -50.09 -58.49 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.104 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.81 -41.33 44.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 63.41 111.104 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -47.13 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.872 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . 0.522 HD11 ' SD ' ' A' ' 151' ' ' MET . 49.1 mm -59.06 -61.71 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 62.14 111.117 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . 0.507 HD13 HG12 ' A' ' 209' ' ' VAL . 3.7 mp -53.35 -58.32 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.151 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -49.79 -38.97 36.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.868 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -65.33 -42.37 96.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 74.1 112.505 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.558 ' O ' HG23 ' A' ' 220' ' ' VAL . 0.4 OUTLIER -66.39 -33.26 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 72.21 111.152 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 34.8 mm -71.11 -46.51 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 71.54 111.155 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 19.3 tt -67.84 -31.84 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 70.31 111.139 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . 0.418 ' HA ' HG22 ' A' ' 222' ' ' THR . 2.9 t -75.95 -34.55 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 72.51 110.84 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 220' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 216' ' ' ILE . 41.4 t -76.41 -37.97 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 73.25 111.133 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -74.53 -37.17 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 64.23 110.921 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . 0.418 HG22 ' HA ' ' A' ' 219' ' ' SER . 7.2 t -73.18 -30.8 63.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 72.34 111.143 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -36.6 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 74.43 110.839 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.861 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.839 0.352 . . . . 61.4 110.825 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.748 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 24.0 t80 -71.85 -53.06 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.902 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' A' ' 92' ' ' LEU . 17.7 mmm180 -52.5 -40.18 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.876 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.47 -38.56 96.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 72.22 112.506 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.4 ttp -67.91 -39.31 83.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 71.05 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.748 HD21 ' CZ ' ' A' ' 88' ' ' PHE . 8.0 mt -65.83 -52.19 52.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 73.31 110.901 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -45.07 95.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 75.54 110.831 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -67.04 -36.13 81.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 61.33 110.892 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.72 -52.28 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -64.45 -45.63 86.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.908 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 t -58.1 -44.33 87.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 62.51 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.877 -179.836 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.314 . . . . 72.54 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.691 ' HA ' HD12 ' A' ' 105' ' ' ILE . 32.3 tt0 -51.92 -42.57 62.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.892 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.87 -47.87 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 72.4 111.153 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.76 -35.73 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 102' ' ' GLN . 28.7 mt -65.64 -61.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 74.44 111.167 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 110' ' ' VAL . 3.5 tt -57.06 -35.69 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.51 111.175 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.17 -48.96 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 63.21 110.882 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.708 HD13 ' CE2' ' A' ' 150' ' ' PHE . 21.3 tp -65.27 -43.03 92.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.911 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 105' ' ' ILE . 90.0 t -59.06 -55.48 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 70.2 111.145 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 106' ' ' ILE . 61.8 t -61.66 -53.63 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.188 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.499 HD23 ' HE1' ' A' ' 150' ' ' PHE . 15.9 tp -54.24 -62.44 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 72.52 110.874 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.49 ' O ' HG23 ' A' ' 116' ' ' VAL . 30.5 t70 -51.91 -41.57 62.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.898 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.75 76.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 64.31 111.1 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.15 -53.44 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 70.52 110.932 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 mt -55.29 -59.72 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.917 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 112' ' ' ASP . 97.8 t -53.88 -39.71 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 63.11 111.127 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.04 -55.38 35.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.912 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.36 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 72.31 111.097 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -35.65 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 73.23 110.874 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.07 -54.9 26.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.23 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.0 pt -63.18 -34.2 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.153 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.49 -40.53 70.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.993 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -74.41 -35.56 63.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.13 110.885 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -70.76 -34.25 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.941 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -32.72 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.955 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 63.2 111.134 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.802 0.334 . . . . 62.33 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 59.28 85.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 65.02 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.34 -169.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 52.33 110.899 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.412 ' O ' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -51.83 -38.9 57.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.01 110.896 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.86 -52.55 59.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 61.13 111.143 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 1.138 ' HB1' HD11 ' A' ' 189' ' ' LEU . . . -63.1 -53.27 56.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 72.21 111.111 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -53.65 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.872 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 134' ' ' TYR . 52.0 t -58.96 -52.82 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 75.11 111.127 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.02 -51.22 58.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 64.45 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.606 ' NE2' HD13 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -63.0 -50.21 71.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 75.55 110.859 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -51.51 -47.19 63.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.955 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.3 ttt -62.19 -52.47 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 63.21 110.855 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.626 ' CB ' HD11 ' A' ' 201' ' ' LEU . 4.4 m -51.78 -54.43 28.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 61.42 110.805 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.553 ' CD1' HD22 ' A' ' 204' ' ' LEU . 41.7 mm -56.68 -45.52 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.144 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 95.2 m -54.36 -45.75 72.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 35.41 111.131 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 42.5 mm -65.31 -44.5 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.32 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.703 HD11 ' HA ' ' A' ' 205' ' ' ARG . 12.9 mt -55.23 -60.76 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.947 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 41.8 t -58.39 -43.72 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.31 111.137 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -51.74 -55.48 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.851 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.708 ' CE2' HD13 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -61.4 -41.44 97.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.859 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -51.97 -59.53 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.05 110.897 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.403 ' HA ' HD12 ' A' ' 155' ' ' ILE . 20.9 mmt -61.81 -40.38 95.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.891 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -52.19 -45.8 65.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.6 mm -72.68 -49.33 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 63.12 111.135 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.597 HD11 ' SD ' ' A' ' 151' ' ' MET . 26.8 mt -51.8 -37.46 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.151 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -82.89 -45.88 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.856 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 51.34 110.891 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.856 0.36 . . . . 74.33 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.0 tt -54.79 -52.38 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 63.23 110.887 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . 0.702 ' O ' HG23 ' A' ' 178' ' ' VAL . 1.4 m-20 -50.94 -50.76 57.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.869 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -54.9 -49.49 71.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 61.12 111.072 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 180' ' ' VAL . 88.6 t -63.48 -35.29 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.53 111.156 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 173' ' ' LEU . 96.9 t -72.12 -33.61 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 72.34 111.12 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 174' ' ' ASP . 88.9 t -72.75 -43.31 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.34 111.132 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' VAL . . . . . 0.655 ' O ' HG22 ' A' ' 183' ' ' ILE . 7.6 p -68.43 -43.35 84.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 75.44 111.165 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 176' ' ' VAL . 10.5 p -68.52 -37.77 78.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 72.35 111.164 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.525 ' C ' HD11 ' A' ' 204' ' ' LEU . 85.0 p -71.6 -40.01 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 62.42 110.859 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.75 -53.04 53.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 70.13 110.87 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 179' ' ' VAL . 11.0 tt -62.99 -41.37 92.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 74.32 111.116 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.758 HD23 HD11 ' A' ' 200' ' ' LEU . 3.7 tp -68.62 -29.06 67.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 65.13 110.882 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.09 -51.03 23.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 63.04 110.903 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 187' ' ' VAL . 11.9 pt -60.86 -45.08 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 54.33 111.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 183' ' ' ILE . 22.0 m -66.02 -37.82 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.128 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.448 HD22 ' CD2' ' A' ' 193' ' ' HIS . 21.3 mt -73.15 -31.2 64.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.953 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 1.138 HD11 ' HB1' ' A' ' 136' ' ' ALA . 1.1 tp -70.17 -48.19 58.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.929 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -64.17 -41.04 97.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.879 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -174.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 71.43 110.93 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -103.97 35.81 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 62.44 110.857 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' HIS . . . . . 0.448 ' CD2' HD22 ' A' ' 188' ' ' LEU . 0.1 OUTLIER -61.69 -34.72 76.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.11 110.861 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? 66.47 124.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.948 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 74.51 -59.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.857 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -27.89 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.872 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.786 ' HB1' HD12 ' A' ' 189' ' ' LEU . . . -46.23 -64.54 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 64.5 111.073 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.01 -36.45 61.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 54.14 110.925 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.74 -45.52 39.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 75.55 112.501 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.758 HD11 HD23 ' A' ' 184' ' ' LEU . 1.9 mm? -53.38 -40.25 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 52.01 110.905 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.626 HD11 ' CB ' ' A' ' 143' ' ' SER . 0.2 OUTLIER -68.58 -44.61 74.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 71.24 110.902 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 13.1 mm -55.11 -57.81 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.45 111.186 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.604 HD21 ' HA ' ' A' ' 200' ' ' LEU . 1.2 pp -57.39 -43.98 84.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.925 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 144' ' ' ILE . 0.0 OUTLIER -50.99 -61.23 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.92 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' ARG . . . . . 0.703 ' HA ' HD11 ' A' ' 147' ' ' LEU . 0.7 OUTLIER -61.79 -34.41 75.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 72.24 110.881 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -70.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.919 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -57.89 -31.32 66.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.863 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 208' ' ' ARG . . . . . 0.619 ' HD3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -62.5 -74.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 73.32 110.885 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 209' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 205' ' ' ARG . 13.8 p -51.15 -35.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.23 111.113 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -60.44 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 61.01 111.071 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -55.34 -38.33 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.04 110.874 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . 0.522 HD11 HH21 ' A' ' 208' ' ' ARG . 33.1 mm -59.28 -69.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.15 111.146 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . 0.646 HD13 HG22 ' A' ' 209' ' ' VAL . 3.3 mp -58.31 -59.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 63.05 111.168 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -50.56 -32.69 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.4 110.913 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.46 -45.14 55.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 70.43 112.498 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 220' ' ' VAL . 1.7 tt -65.21 -33.79 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 54.31 111.137 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 217' ' ' ILE . . . . . 0.656 HG22 ' HE2' ' A' ' 221' ' ' LYS . 31.8 mm -71.84 -50.69 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 61.32 111.127 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 21.4 tt -63.43 -31.91 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.169 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 5.0 t -76.7 -35.18 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.834 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 220' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 216' ' ' ILE . 35.1 t -76.98 -42.57 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 61.42 111.123 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 221' ' ' LYS . . . . . 0.656 ' HE2' HG22 ' A' ' 217' ' ' ILE . 4.0 ptpt -68.58 -37.77 80.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 72.11 110.91 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.25 -30.39 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 71.25 111.136 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -144.27 110.53 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 60.53 110.867 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.848 -179.787 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.876 0.37 . . . . 61.34 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.755 ' CE2' HD11 ' A' ' 92' ' ' LEU . 28.1 t80 -71.82 -58.43 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.874 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.798 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.68 -39.19 61.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 65.55 110.883 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.13 99.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 32.12 112.503 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.82 -40.08 91.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 73.04 110.865 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.2 mt -64.57 -54.08 37.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.913 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -59.09 -42.39 90.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 52.43 110.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -67.54 -40.26 85.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 63.22 110.911 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.56 -53.92 51.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.912 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.47 -55.85 23.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 90.3 p -52.2 -36.45 52.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 70.44 110.826 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.895 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.814 ' HA ' HD12 ' A' ' 104' ' ' ILE . 47.5 p90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.858 0.361 . . . . 72.52 110.865 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.41 -49.93 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.952 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.48 -32.91 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 75.11 111.097 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 101' ' ' PHE . 35.2 mt -66.55 -59.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 61.44 111.163 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 109' ' ' VAL . 10.1 tt -56.79 -39.77 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 64.24 111.16 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.544 ' O ' HG23 ' A' ' 110' ' ' VAL . 63.2 mt -69.21 -43.11 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 74.01 111.161 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.0 t -63.43 -35.65 81.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 52.22 110.845 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.23 -51.78 19.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 64.43 110.883 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 105' ' ' ILE . 84.9 t -56.51 -44.5 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.156 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 106' ' ' ILE . 97.9 t -69.52 -44.83 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 74.22 111.101 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.67 HD22 HG23 ' A' ' 146' ' ' ILE . 12.8 mt -54.51 -55.91 24.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 75.04 110.909 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.89 -49.38 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.891 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.81 -47.95 64.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 72.1 111.095 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.07 -43.32 87.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 72.43 110.907 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.76 -59.64 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.891 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.07 -54.59 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 55.33 111.095 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.4 tp -51.91 -55.34 20.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 63.44 110.911 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.624 ' O ' HD12 ' A' ' 122' ' ' LEU . . . -52.79 -45.02 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.51 111.098 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.94 -35.91 79.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -56.51 9.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 65.51 110.899 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.8 pt -59.0 -34.56 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 70.21 111.118 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -69.73 -56.79 6.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.902 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -52.48 50.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.44 110.882 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.64 -33.82 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 64.21 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -54.49 -50.58 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.35 110.864 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 2.6 pt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.105 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.814 0.34 . . . . 73.2 110.951 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 51.65 86.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.873 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 179.48 -76.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 71.13 110.898 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -77.15 -60.55 2.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 65.04 110.954 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.52 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 74.52 111.095 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 1.054 ' HB1' HD11 ' A' ' 189' ' ' LEU . . . -54.0 -44.65 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 55.55 111.148 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -54.18 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 64.04 110.841 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 67.1 t -51.58 -55.99 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 71.13 111.098 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.466 ' HE1' HD13 ' A' ' 122' ' ' LEU . 25.9 m-85 -53.31 -50.96 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.87 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.733 ' CD2' HD22 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -57.59 -45.08 85.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.872 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.72 -49.95 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 73.02 110.908 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 2.4 mtp -61.16 -38.6 87.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.851 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.704 ' CB ' HD11 ' A' ' 201' ' ' LEU . 4.1 t -60.24 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 70.54 110.821 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 7.2 tp -58.86 -35.38 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 63.23 111.138 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 70.4 m -59.74 -56.09 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 63.52 111.174 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.67 HG23 HD22 ' A' ' 111' ' ' LEU . 74.8 mt -65.94 -34.61 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.145 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 208' ' ' ARG . 9.1 tp -61.06 -63.74 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 63.32 110.898 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.71 -49.17 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.114 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -51.92 -59.06 4.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.868 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.03 -50.67 63.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 75.45 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -49.48 62.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.88 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -42.4 90.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 62.44 110.895 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -60.25 -42.48 95.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.92 -61.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 64.14 111.14 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 25.2 pt -53.55 -32.46 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.11 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.13 -58.49 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 75.44 110.898 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.893 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.68 ' O ' HG23 ' A' ' 176' ' ' VAL . 51.1 mm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.838 0.351 . . . . 74.43 111.164 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.53 HD23 ' N ' ' A' ' 174' ' ' ASP . 4.4 tt -52.27 -56.9 11.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.931 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . 0.53 ' N ' HD23 ' A' ' 173' ' ' LEU . 21.3 t0 -51.74 -51.54 55.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 70.23 110.841 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 179' ' ' VAL . . . -55.21 -37.58 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.096 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 172' ' ' ILE . 68.5 t -72.66 -30.84 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.105 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 173' ' ' LEU . 99.0 t -76.66 -39.26 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.54 111.128 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 29.2 m -70.44 -38.64 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 61.13 111.121 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 175' ' ' ALA . 30.8 m -72.47 -44.25 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 64.4 111.104 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.482 ' N ' HG23 ' A' ' 179' ' ' VAL . 8.9 p -68.64 -37.42 77.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 45.42 111.121 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.708 ' C ' HD21 ' A' ' 204' ' ' LEU . 83.6 p -68.99 -51.58 37.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 55.13 110.849 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -57.86 -48.34 80.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.883 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 187' ' ' VAL . 66.9 mt -57.4 -51.18 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.01 111.126 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -38.08 74.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.916 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . 0.521 ' OD2' HD23 ' A' ' 201' ' ' LEU . 0.8 OUTLIER -62.33 -57.37 11.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.835 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.1 pt -61.99 -40.84 88.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 72.43 111.131 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 183' ' ' ILE . 37.8 t -55.7 -48.69 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 70.41 111.178 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.775 HD13 HD21 ' A' ' 200' ' ' LEU . 0.1 OUTLIER -72.9 -30.75 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 74.04 110.932 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 1.054 HD11 ' HB1' ' A' ' 136' ' ' ALA . 16.9 tp -58.74 -50.39 74.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.922 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -79.98 -23.95 41.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.34 110.848 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -45.7 -38.65 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 43.4 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -163.66 169.62 18.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 63.42 110.856 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -90.99 45.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 70.12 110.833 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.4 121.47 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.879 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' PHE . . . . . 0.444 ' CE2' HD12 ' A' ' 198' ' ' LEU . 1.8 t80 -50.16 -34.31 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.867 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -51.77 -33.33 34.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.903 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 189' ' ' LEU . . . -52.02 -47.47 64.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 70.25 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.444 HD12 ' CE2' ' A' ' 195' ' ' PHE . 8.4 mt -50.35 -34.86 25.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.942 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.36 -41.76 32.61 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.763 -0.732 . . . . 71.33 112.483 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.775 HD21 HD13 ' A' ' 188' ' ' LEU . 2.6 mp -52.57 -43.69 65.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 71.21 110.882 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.704 HD11 ' CB ' ' A' ' 143' ' ' SER . 2.3 tm? -67.35 -42.08 84.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.918 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 13.2 mm -58.18 -57.56 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 61.25 111.131 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.596 HD13 ' CH2' ' A' ' 207' ' ' TRP . 1.1 pp -58.05 -43.39 86.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 64.33 110.914 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.708 HD21 ' C ' ' A' ' 181' ' ' SER . 2.0 mp -51.96 -61.29 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 71.42 110.9 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 209' ' ' VAL . 2.6 ptm180 -60.06 -33.22 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.841 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 23.1 tp -64.32 -46.82 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . 0.596 ' CH2' HD13 ' A' ' 203' ' ' LEU . 42.2 m0 -62.88 -53.21 57.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 72.15 110.952 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 208' ' ' ARG . . . . . 0.541 ' HB2' HD21 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -55.76 -61.72 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 64.13 110.867 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 209' ' ' VAL . . . . . 0.486 HG12 HD13 ' A' ' 213' ' ' ILE . 91.7 t -51.54 -63.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 53.4 111.106 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -47.88 -44.57 29.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.54 111.1 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -56.78 -53.08 61.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.887 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 46.7 mm -56.3 -63.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 74.13 111.151 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . 0.486 HD13 HG12 ' A' ' 209' ' ' VAL . 3.5 mp -51.27 -59.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 65.23 111.095 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -50.64 -33.15 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 72.12 110.879 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -69.7 -45.39 58.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 75.05 112.476 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 220' ' ' VAL . 0.4 OUTLIER -65.15 -33.91 66.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 60.12 111.131 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 34.8 mm -72.02 -53.44 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.41 111.136 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.13 -31.66 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 61.41 111.124 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . 0.716 ' O ' HG22 ' A' ' 222' ' ' THR . 4.3 t -76.22 -36.1 58.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.881 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 220' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 216' ' ' ILE . 24.2 t -73.86 -29.52 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 52.03 111.09 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -54.44 -33.69 60.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.894 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . 0.716 HG22 ' O ' ' A' ' 219' ' ' SER . 2.9 t -72.73 -24.52 60.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 72.44 111.147 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.57 -84.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 72.05 110.824 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.855 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.842 0.353 . . . . 64.2 110.849 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.755 ' CE2' HD11 ' A' ' 92' ' ' LEU . 26.2 t80 -71.63 -58.39 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.904 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.805 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -53.0 -37.06 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 64.44 110.865 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.16 96.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 71.22 112.52 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.4 ttp -65.27 -38.9 91.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 72.54 110.867 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.805 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.6 mt -65.37 -54.45 28.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.927 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -59.83 -41.75 92.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.918 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -68.12 -36.23 79.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 72.32 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.72 -54.83 25.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.952 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -47.01 86.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.54 110.918 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 t -60.43 -38.42 84.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.871 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 54.3 110.875 -179.837 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.612 ' O ' HD12 ' A' ' 105' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.775 0.322 . . . . 73.33 110.866 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -51.78 -40.38 60.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.897 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.67 -47.18 94.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 62.13 111.128 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.2 mt -60.65 -56.53 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.11 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.632 ' CG1' HD11 ' A' ' 216' ' ' ILE . 3.8 mt -51.8 -56.77 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 65.03 111.128 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 110' ' ' VAL . 51.8 mt -58.18 -39.88 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 71.12 111.151 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.6 t -65.01 -33.74 76.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 51.04 110.863 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 108' ' ' LEU . 7.2 tt -71.34 -52.33 19.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.904 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.5 m -60.19 -39.23 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.41 111.091 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 106' ' ' ILE . 71.5 t -72.64 -45.44 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 64.31 111.131 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -55.91 -49.91 72.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.933 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.48 -48.48 64.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.864 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.03 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 22.43 111.117 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.73 -40.83 75.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 73.33 110.89 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 111' ' ' LEU . 1.7 mm? -58.29 -55.48 34.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 73.24 110.949 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.53 -53.37 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 62.4 111.112 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.1 tp -51.82 -55.31 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 64.21 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.55 -48.92 76.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.1 111.092 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -35.72 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 70.35 110.868 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.98 -56.64 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.882 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.8 pt -60.03 -33.99 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 62.12 111.136 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.25 -51.04 41.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 62.24 110.909 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -57.87 -44.52 86.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.86 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.82 -35.87 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -54.76 -35.7 64.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.935 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 47.9 mm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 73.45 111.148 179.849 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.556 ' HE3' HD21 ' A' ' 198' ' ' LEU . 2.4 mtmt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.752 0.311 . . . . 65.35 110.905 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 51.28 62.71 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 62.54 110.861 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.589 ' N ' HD21 ' A' ' 189' ' ' LEU . 0.1 OUTLIER 179.58 -165.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 54.21 110.886 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -46.49 -47.25 19.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.51 110.951 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.76 -41.99 71.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 72.32 111.093 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.743 ' HB1' HD11 ' A' ' 189' ' ' LEU . . . -65.76 -50.56 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 52.12 111.122 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.5 ttp -51.79 -53.92 34.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.876 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.76 -45.18 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 53.45 111.14 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.33 -48.64 78.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 64.2 110.914 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -61.89 -50.72 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.13 110.877 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -46.32 64.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.938 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.9 ttp -65.04 -42.18 94.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.2 110.85 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 t -60.8 -50.86 71.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 71.43 110.912 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.3 mm -60.45 -52.38 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 72.45 111.091 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 62.6 m -51.54 -51.86 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.115 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 42.9 mt -63.2 -34.99 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 73.52 111.142 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.812 HD11 ' HG2' ' A' ' 208' ' ' ARG . 0.7 OUTLIER -60.13 -62.49 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 71.32 110.873 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.05 -35.42 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 34.13 111.138 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -64.09 -51.2 65.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.828 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.37 -46.23 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.868 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 0.42 ' CG ' HD11 ' A' ' 212' ' ' ILE . 0.0 OUTLIER -56.97 -59.64 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.881 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -36.15 68.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.7 -53.54 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.834 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.57 -55.37 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 73.43 111.122 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 44.2 mm -53.0 -38.69 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 64.14 111.183 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -70.6 -55.46 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.916 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 54.34 110.902 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 31.7 mm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.841 0.353 . . . . 71.21 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.764 ' O ' HG23 ' A' ' 177' ' ' VAL . 4.3 tt -52.99 -57.25 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 63.43 110.916 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . 0.587 ' N ' HD23 ' A' ' 173' ' ' LEU . 1.4 p30 -49.79 -45.5 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 73.41 110.864 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.605 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -51.81 -56.35 14.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 73.13 111.114 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 180' ' ' VAL . 21.9 t -57.29 -41.01 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.125 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 173' ' ' LEU . 21.9 t -56.04 -64.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 62.31 111.111 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 31.2 m -54.39 -33.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 73.02 111.127 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 175' ' ' ALA . 41.7 t -66.17 -44.4 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 73.02 111.104 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 176' ' ' VAL . 98.6 t -64.04 -44.78 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 53.34 111.117 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 70.8 m -61.88 -53.14 59.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 35.04 110.882 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -56.46 -58.96 5.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 65.14 110.884 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 187' ' ' VAL . 78.5 mt -52.73 -50.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.51 111.111 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 1.044 HD23 HD11 ' A' ' 200' ' ' LEU . 31.4 tp -56.14 -35.29 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 64.23 110.932 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.29 -57.78 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.851 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.0 pt -61.5 -40.02 84.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 75.2 111.156 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 183' ' ' ILE . 52.8 t -59.27 -54.78 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 74.53 111.151 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 184' ' ' LEU . 3.9 mm? -61.74 -33.96 74.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 75.21 110.931 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.743 HD11 ' HB1' ' A' ' 136' ' ' ALA . 0.4 OUTLIER -62.2 -46.92 86.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 62.44 110.884 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -91.4 13.46 17.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.932 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -110.61 -74.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 75.14 110.892 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -26.3 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 62.21 110.891 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 1.4 t60 64.81 34.56 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.844 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -119.12 175.5 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.877 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -54.46 -25.76 27.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.35 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -46.39 -35.98 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.902 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.47 67.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 43.31 111.079 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.556 HD21 ' HE3' ' A' ' 131' ' ' LYS . 7.2 mp -59.56 -35.21 73.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 63.44 110.889 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -48.16 -37.1 16.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 25.14 112.465 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 1.044 HD11 HD23 ' A' ' 184' ' ' LEU . 4.3 mm? -61.0 -44.65 97.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 75.01 110.919 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -35.9 82.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 65.21 110.926 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 10.1 mm -64.78 -58.84 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 71.12 111.135 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.613 HD12 ' N ' ' A' ' 204' ' ' LEU . 3.3 pp -55.61 -35.52 65.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 53.14 110.885 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 203' ' ' LEU . 0.5 OUTLIER -64.72 -54.75 26.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.909 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -58.49 -39.71 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 72.01 110.909 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.29 -35.84 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.883 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . 0.416 ' CE3' HD23 ' A' ' 204' ' ' LEU . 0.9 OUTLIER -71.62 -51.87 20.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 71.3 110.889 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 208' ' ' ARG . . . . . 0.812 ' HG2' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -60.64 -46.9 88.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 73.05 110.863 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 209' ' ' VAL . . . . . 0.416 ' O ' ' HB ' ' A' ' 213' ' ' ILE . 6.0 p -64.9 -36.98 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 73.31 111.117 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -61.5 -56.96 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.3 111.124 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -63.65 -51.88 63.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.44 110.901 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . 0.42 HD11 ' CG ' ' A' ' 151' ' ' MET . 19.5 mm -51.23 -68.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 75.13 111.12 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 209' ' ' VAL . 1.7 mp -49.73 -39.79 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.41 111.151 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -63.82 -37.03 85.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 63.34 110.896 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.05 -44.94 59.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 53.23 112.498 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.632 HD11 ' CG1' ' A' ' 105' ' ' ILE . 5.9 tt -68.5 -36.01 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 65.31 111.129 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 217' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 218' ' ' ILE . 1.1 mp -68.84 -47.96 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 71.04 111.118 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.405 ' N ' HG22 ' A' ' 217' ' ' ILE . 10.7 tt -66.47 -33.67 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 64.04 111.136 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.2 p -77.1 -32.29 56.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 72.24 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 220' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 216' ' ' ILE . 19.9 t -78.83 -39.33 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 72.32 111.106 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -72.14 -35.97 69.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.901 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 10.3 t -72.48 -29.69 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.22 111.167 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.02 28.39 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 72.32 110.85 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 62.24 110.887 -179.801 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.852 0.358 . . . . 42.31 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.759 ' CE2' HD11 ' A' ' 92' ' ' LEU . 27.3 t80 -71.81 -58.35 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.906 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.803 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.59 -40.16 62.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.15 110.856 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.63 -39.98 98.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.664 -0.779 . . . . 75.34 112.475 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.5 ttm -67.12 -39.92 86.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 72.11 110.859 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.803 HD12 ' HA ' ' A' ' 89' ' ' ARG . 6.4 mt -64.09 -53.03 56.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.939 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -60.39 -45.1 94.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.869 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -65.75 -35.8 81.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.902 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mt -64.61 -57.57 8.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 62.03 110.932 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -58.65 -50.61 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.5 t -56.94 -43.14 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 60.43 110.887 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 75.31 110.876 -179.813 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.784 0.326 . . . . 73.32 110.938 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.615 ' HA ' HD12 ' A' ' 105' ' ' ILE . 9.1 tt0 -51.94 -46.47 64.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.972 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.9 t -52.74 -47.91 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 72.4 111.176 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 53.2 mt -63.39 -44.27 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 74.34 111.137 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 109' ' ' VAL . 48.3 mt -56.01 -63.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.42 111.167 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 110' ' ' VAL . 3.1 tt -58.24 -35.56 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.03 111.115 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.474 ' O ' HD23 ' A' ' 111' ' ' LEU . 38.2 t -56.68 -57.15 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 65.35 110.875 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.73 HD13 ' CZ ' ' A' ' 150' ' ' PHE . 8.3 tp -62.7 -48.54 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 73.43 110.936 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 105' ' ' ILE . 88.8 t -52.23 -56.4 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.33 111.128 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 106' ' ' ILE . 95.7 t -60.73 -38.63 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 73.51 111.082 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.7 mm? -60.83 -52.43 65.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 55.31 110.918 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.67 -55.29 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.896 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.85 -49.99 67.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 54.31 111.081 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.489 HD12 HG12 ' A' ' 110' ' ' VAL . 45.4 mt -63.08 -35.63 80.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 72.24 110.938 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 111' ' ' LEU . 1.1 mm? -61.27 -59.65 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 75.01 110.915 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.7 p -59.98 -38.76 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 50.14 111.139 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.67 -55.4 23.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 71.01 110.973 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.28 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.124 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -51.55 68.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.847 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 -56.63 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.912 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.451 HD13 ' O ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -60.06 -29.48 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 72.43 111.149 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.421 ' O ' HD13 ' A' ' 126' ' ' ILE . 7.6 mt -69.47 -56.92 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 73.14 110.907 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.32 -36.0 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.858 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.22 -30.8 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 52.4 110.908 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.43 -35.39 65.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.937 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.22 111.156 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.795 0.331 . . . . 64.51 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.99 91.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.929 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.84 -174.24 4.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.955 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -35.71 73.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 64.33 110.928 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.69 -53.9 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 15.24 111.095 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.61 ' HB1' HD21 ' A' ' 189' ' ' LEU . . . -67.78 -34.59 77.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 63.13 111.155 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.81 -52.7 59.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 60.41 110.867 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.3 -32.42 57.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 74.33 111.127 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -51.4 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.909 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -42.85 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 71.4 110.853 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.39 -44.81 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.909 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.573 ' O ' HG22 ' A' ' 146' ' ' ILE . 1.0 OUTLIER -67.43 -36.53 81.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 72.13 110.858 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.677 ' CB ' HD11 ' A' ' 201' ' ' LEU . 12.1 t -66.46 -56.98 8.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.858 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 145' ' ' THR . 2.6 pp -61.93 -34.71 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 63.11 111.133 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.47 ' N ' HD12 ' A' ' 144' ' ' ILE . 15.9 m -65.65 -65.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.25 111.177 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 142' ' ' MET . 1.4 tp -55.57 -33.47 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.112 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.751 HD22 ' CG ' ' A' ' 208' ' ' ARG . 16.4 mt -64.43 -64.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 43.34 110.91 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.88 -45.85 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 71.11 111.121 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.32 -53.41 51.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 74.24 110.884 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.73 ' CZ ' HD13 ' A' ' 108' ' ' LEU . 36.3 t80 -58.37 -55.43 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 73.32 110.845 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 0.647 ' SD ' HD13 ' A' ' 212' ' ' ILE . 32.7 tpp -51.93 -58.45 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.855 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -39.95 60.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 65.22 110.885 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -61.39 -49.23 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 73.45 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.1 mm -59.83 -59.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 70.24 111.139 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 18.8 tt -54.68 -34.54 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 70.12 111.097 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.59 -58.81 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 60.21 110.908 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 64.04 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 57.4 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.869 0.366 . . . . 71.22 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.556 HD23 ' N ' ' A' ' 174' ' ' ASP . 1.5 tt -52.06 -48.73 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.927 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . 0.739 ' O ' HG23 ' A' ' 178' ' ' VAL . 4.7 t70 -50.39 -52.2 39.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 71.23 110.85 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.3 -53.37 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.09 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 180' ' ' VAL . 96.7 t -55.32 -57.28 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.24 111.086 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 99.0 t -50.69 -37.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 74.03 111.164 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 174' ' ' ASP . 92.8 t -64.23 -63.46 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 63.23 111.143 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 183' ' ' ILE . 4.6 p -55.65 -39.25 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.16 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 176' ' ' VAL . 66.6 t -60.89 -46.88 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 72.1 111.174 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.439 ' CB ' HD11 ' A' ' 204' ' ' LEU . 0.1 OUTLIER -68.57 -41.46 79.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.853 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -55.34 -60.49 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.885 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 179' ' ' VAL . 3.5 tt -60.0 -45.32 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 74.31 111.09 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.423 ' N ' HG23 ' A' ' 183' ' ' ILE . 34.0 tp -58.61 -39.22 79.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 62.54 110.908 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . 0.474 ' OD1' HD23 ' A' ' 201' ' ' LEU . 2.3 t70 -63.93 -56.8 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 62.5 110.847 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.9 pt -61.07 -40.0 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 75.43 111.151 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 183' ' ' ILE . 24.3 t -58.4 -54.04 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.23 111.11 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -30.59 70.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 71.31 110.887 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.61 HD21 ' HB1' ' A' ' 136' ' ' ALA . 1.9 tm? -61.04 -49.71 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.935 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -80.75 -37.51 30.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.918 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -51.87 106.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 60.32 110.958 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 59.3 172.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 73.25 110.849 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -88.87 48.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 61.32 110.826 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -94.56 89.35 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.6 -30.58 21.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 72.43 110.851 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -50.01 -31.24 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.846 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -48.8 -32.94 9.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 62.04 111.089 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 1.5 mp -48.29 -34.68 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.914 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' GLY . . . . . 0.679 ' HA2' HD12 ' A' ' 202' ' ' ILE . . . -50.05 -36.54 28.09 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.761 -0.733 . . . . 74.32 112.5 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.506 ' HA ' HD21 ' A' ' 203' ' ' LEU . 4.5 mm? -57.23 -44.65 83.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 75.23 110.961 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.677 HD11 ' CB ' ' A' ' 143' ' ' SER . 2.9 tm? -66.99 -44.02 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 51.44 110.924 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' ILE . . . . . 0.679 HD12 ' HA2' ' A' ' 199' ' ' GLY . 7.8 mt -55.07 -58.26 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 72.43 111.153 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 204' ' ' LEU . 2.4 pp -58.68 -42.28 88.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 42.31 110.901 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 203' ' ' LEU . 0.0 OUTLIER -49.97 -60.63 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.951 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' ARG . . . . . 0.602 ' O ' HG12 ' A' ' 209' ' ' VAL . 14.5 ptm180 -63.0 -32.0 73.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 73.01 110.825 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 7.3 tt -56.6 -68.03 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 63.11 110.919 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -63.13 -33.07 74.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.916 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 208' ' ' ARG . . . . . 0.751 ' CG ' HD22 ' A' ' 147' ' ' LEU . 15.1 tpt180 -62.45 -68.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.866 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 209' ' ' VAL . . . . . 0.732 HG22 ' CD1' ' A' ' 213' ' ' ILE . 8.4 p -56.6 -34.68 42.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 53.54 111.153 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -67.32 -36.4 81.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 74.31 111.108 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -55.08 10.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 54.12 110.88 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . 0.647 HD13 ' SD ' ' A' ' 151' ' ' MET . 5.4 tp -56.54 -44.98 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.3 111.116 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . 0.732 ' CD1' HG22 ' A' ' 209' ' ' VAL . 78.0 mt -64.11 -60.29 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 73.42 111.169 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . 0.631 ' O ' HG23 ' A' ' 218' ' ' ILE . 11.0 t30 -51.94 -29.71 21.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.53 110.909 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.72 -54.32 10.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 70.31 112.496 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.0 tt -59.55 -33.86 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 64.02 111.116 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 217' ' ' ILE . . . . . 0.529 HG22 ' HE3' ' A' ' 221' ' ' LYS . 7.8 mm -68.58 -57.46 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.22 111.136 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 214' ' ' ASN . 29.4 pt -59.87 -29.53 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 72.12 111.17 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 58.3 m -76.49 -35.78 58.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 75.02 110.873 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 220' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 216' ' ' ILE . 42.4 t -77.45 -38.31 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 40.32 111.105 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 221' ' ' LYS . . . . . 0.529 ' HE3' HG22 ' A' ' 217' ' ' ILE . 7.8 ptpt -71.69 -36.81 70.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.52 110.899 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 9.9 t -72.78 -29.6 63.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.12 111.123 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 29.08 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.866 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.826 -179.77 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.82 0.343 . . . . 65.03 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 92' ' ' LEU . 23.0 t80 -71.73 -58.95 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 64.22 110.89 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -60.56 -25.36 66.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.877 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.91 -43.95 39.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 54.5 112.498 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 57.4 ttp -70.25 -38.86 75.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 72.11 110.832 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 88' ' ' PHE . 4.6 mt -69.07 -50.14 51.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 74.33 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -62.9 -44.72 95.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 65.02 110.878 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -38.74 89.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 70.55 110.898 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.67 -61.06 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.895 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.619 ' CE2' HG11 ' A' ' 103' ' ' VAL . 47.6 t80 -55.6 -48.28 75.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.2 110.891 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 t -59.47 -50.71 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 74.42 110.865 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 70.14 110.832 -179.784 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.855 0.36 . . . . 74.13 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 105' ' ' ILE . 5.5 tp60 -51.92 -45.77 64.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 72.11 110.933 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.619 HG11 ' CE2' ' A' ' 96' ' ' PHE . 64.7 t -59.73 -51.93 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.52 111.138 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.2 mt -57.94 -45.64 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 61.1 111.172 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.701 ' O ' HG23 ' A' ' 109' ' ' VAL . 9.7 mt -58.24 -64.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 64.45 111.132 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.2 mm -51.61 -55.91 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 74.51 111.107 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.2 m -51.94 -45.65 64.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.87 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.487 ' C ' HD13 ' A' ' 108' ' ' LEU . 3.1 tm? -62.47 -40.74 97.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.962 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 105' ' ' ILE . 74.3 t -60.34 -56.43 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 73.25 111.121 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.471 ' O ' HD23 ' A' ' 114' ' ' LEU . 7.5 p -64.45 -37.32 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 65.43 111.166 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.4 mt -65.05 -64.35 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 70.3 110.908 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 116' ' ' VAL . 35.8 t70 -53.26 -45.96 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 61.34 110.826 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.21 75.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 61.11 111.078 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 110' ' ' VAL . 2.5 mm? -59.9 -49.89 75.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.948 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.01 -59.77 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 34.25 110.867 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.583 HG22 ' NH1' ' A' ' 205' ' ' ARG . 66.8 t -52.68 -56.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 61.13 111.137 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.9 tp -54.16 -51.04 65.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.952 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.75 -52.71 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 73.31 111.093 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -63.42 -35.33 80.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 70.03 110.904 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.5 tp -63.82 -56.33 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 64.02 110.898 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 pt -63.05 -33.18 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 71.54 111.147 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -56.79 13.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 70.13 110.924 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.98 -34.98 77.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 72.43 110.845 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.16 -32.5 71.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 65.32 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -86.13 -32.94 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 63.33 110.869 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.13 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.744 0.307 . . . . 64.44 110.953 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 51.43 43.61 29.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 63.31 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.88 -75.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 70.14 110.898 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -76.39 -60.49 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 70.33 110.961 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.38 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 40.44 111.08 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.25 71.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.15 111.043 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -54.18 49.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 64.41 110.85 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 70.3 t -50.41 -56.19 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.44 111.115 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -56.98 -38.8 73.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.436 ' HA ' HD21 ' A' ' 201' ' ' LEU . 3.4 t-80 -64.16 -53.88 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 75.51 110.86 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 145' ' ' THR . 3.3 m-30 -55.49 -39.71 70.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.929 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.7 ttt -68.38 -37.86 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 51.34 110.906 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.4 t -69.37 -46.77 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.832 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 148' ' ' VAL . 8.0 tp -65.79 -34.7 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 54.24 111.156 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 141' ' ' TYR . 11.7 p -68.43 -52.94 27.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.22 111.123 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.18 -34.24 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.2 111.129 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.613 HD11 ' HA ' ' A' ' 205' ' ' ARG . 11.8 mt -67.39 -59.96 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.916 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 144' ' ' ILE . 61.3 t -59.69 -40.27 81.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.11 111.149 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -60.05 -52.43 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.928 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.554 ' CD2' HG21 ' A' ' 212' ' ' ILE . 3.9 t80 -57.46 -55.52 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.32 110.894 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.35 -55.33 32.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 65.41 110.877 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 1.1 mmt -52.06 -41.95 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 63.45 110.861 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.13 -50.67 72.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.5 mm -56.59 -59.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 61.5 111.09 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.52 -34.9 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 65.04 111.139 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.03 -62.66 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 52.15 110.889 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 71.35 110.941 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.893 0.378 . . . . 74.41 111.159 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.548 ' O ' HG23 ' A' ' 177' ' ' VAL . 1.8 tt -58.66 -42.74 89.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 64.23 110.895 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . 0.563 ' O ' HG23 ' A' ' 178' ' ' VAL . 82.8 m-20 -50.58 -51.02 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.894 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.754 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -55.68 -56.23 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 62.3 111.094 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 42.0 t -53.18 -52.61 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.11 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 173' ' ' LEU . 93.4 t -50.95 -47.57 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.42 111.087 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 174' ' ' ASP . 99.6 t -64.09 -34.0 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.157 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 175' ' ' ALA . 67.8 t -65.87 -47.36 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.34 111.128 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.57 -41.35 85.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 65.31 111.182 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.54 ' C ' HD21 ' A' ' 204' ' ' LEU . 5.4 p -68.15 -48.27 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.846 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' PHE . . . . . 0.529 ' CE1' HD13 ' A' ' 186' ' ' ILE . 35.0 t80 -61.13 -50.1 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.891 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 187' ' ' VAL . 94.0 mt -61.1 -46.84 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.21 111.195 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.7 -39.96 74.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 70.41 110.884 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . 0.594 ' HA ' HD22 ' A' ' 200' ' ' LEU . 66.0 t0 -65.0 -57.44 8.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 71.32 110.842 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.529 HD13 ' CE1' ' A' ' 182' ' ' PHE . 25.8 pt -59.72 -36.6 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 63.14 111.161 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 183' ' ' ILE . 23.5 t -62.37 -54.46 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 73.21 111.117 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.407 HD22 HD11 ' A' ' 200' ' ' LEU . 0.2 OUTLIER -63.92 -28.76 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 64.51 110.951 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' A' ' 197' ' ' ALA . 18.1 tp -66.19 -49.8 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 60.01 110.87 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -77.38 -34.89 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.85 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -90.1 -166.62 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 71.03 110.924 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 68.22 -80.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 74.31 110.917 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.67 34.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.877 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 58.16 174.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 63.12 110.914 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 2.9 t80 59.44 171.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 73.22 110.81 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 51.06 35.01 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 73.54 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.68 ' HB3' HD13 ' A' ' 189' ' ' LEU . . . -113.31 -33.72 5.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 61.53 111.115 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.601 HD22 ' H ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -49.16 -35.75 17.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.943 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -50.01 -50.51 32.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 62.51 112.507 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.594 HD22 ' HA ' ' A' ' 185' ' ' ASP . 0.3 OUTLIER -51.77 -43.19 62.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 64.31 110.938 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' ' 140' ' ' HIS . 12.3 tp -63.27 -41.8 99.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.943 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 198' ' ' LEU . 1.6 mp -60.79 -62.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.194 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 200' ' ' LEU . 0.3 OUTLIER -52.23 -37.68 55.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 70.21 110.931 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 200' ' ' LEU . 3.2 mp -59.57 -56.95 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 72.32 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' ARG . . . . . 0.613 ' HA ' HD11 ' A' ' 147' ' ' LEU . 54.9 ttp180 -61.43 -37.67 84.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.881 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 26.2 mt -58.62 -47.48 84.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 54.32 110.916 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -64.17 -53.1 54.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.897 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 208' ' ' ARG . . . . . 0.596 ' HB3' HD22 ' A' ' 147' ' ' LEU . 3.5 mmt-85 -58.13 -61.6 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.891 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 209' ' ' VAL . . . . . 0.644 ' HA ' HD12 ' A' ' 212' ' ' ILE . 82.9 t -49.09 -56.32 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 71.33 111.11 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.45 -54.69 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 22.04 111.089 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -55.8 -46.41 78.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.15 110.869 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 209' ' ' VAL . 18.2 mt -54.56 -69.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 65.41 111.169 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 213' ' ' ILE . 4.0 mp -52.83 -58.78 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 72.22 111.13 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -50.09 -28.79 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.831 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -74.28 -48.93 13.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 62.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.4 tt -67.58 -34.51 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 75.15 111.104 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 13.7 mm -72.34 -49.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 55.55 111.104 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 7.6 tt -64.33 -32.82 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 51.1 111.136 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 8.9 t -77.57 -35.15 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 74.33 110.829 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 220' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 216' ' ' ILE . 18.6 t -77.14 -36.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 61.41 111.114 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -76.14 -36.46 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.54 110.938 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 7.2 t -73.18 -30.93 63.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 65.45 111.13 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -102.57 -74.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.51 110.907 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.886 -179.797 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.801 0.334 . . . . 74.42 110.819 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' A' ' 92' ' ' LEU . 26.7 t80 -71.84 -58.4 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 65.4 110.913 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.822 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -53.24 -36.73 61.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 63.23 110.85 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.34 -43.68 94.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 62.21 112.488 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.454 ' O ' HD23 ' A' ' 95' ' ' LEU . 10.2 tmm? -64.81 -38.88 92.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 73.43 110.9 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.822 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.2 mt -65.53 -53.79 37.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.14 110.909 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -58.97 -41.9 88.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 62.15 110.853 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -66.48 -37.66 85.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.953 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 91' ' ' MET . 1.4 mm? -64.39 -52.71 56.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 51.11 110.89 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.97 -38.23 90.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 51.32 110.828 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.4 m -61.38 -53.29 58.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.84 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 70.52 110.841 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CD1' HG12 ' A' ' 220' ' ' VAL . 15.4 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.833 0.349 . . . . 63.53 110.926 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.504 ' HA ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -52.05 -57.58 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 70.14 110.934 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.63 -47.94 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 72.21 111.122 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 101' ' ' PHE . 42.1 mt -56.81 -46.93 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.151 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.877 HD11 HG11 ' A' ' 220' ' ' VAL . 7.4 mt -59.18 -63.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 71.34 111.088 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 110' ' ' VAL . 25.3 pt -53.58 -33.38 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 70.22 111.136 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.83 -57.78 9.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.852 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.6 tp -61.34 -45.1 95.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.01 110.918 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 105' ' ' ILE . 97.4 t -53.48 -55.73 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.12 111.087 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 106' ' ' ILE . 99.6 t -61.8 -49.89 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 70.12 111.099 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.07 -57.81 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 71.52 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 116' ' ' VAL . 1.2 t70 -63.72 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 73.1 110.897 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.14 -52.91 60.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 61.32 111.134 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.59 -32.34 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 61.52 110.925 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 146' ' ' ILE . 0.7 OUTLIER -69.31 -56.19 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.889 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 112' ' ' ASP . 92.6 t -62.15 -44.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 64.05 111.151 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.38 -54.2 46.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.126 -0.488 . . . . 70.44 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.91 -53.27 55.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 23.01 111.103 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.71 -36.05 79.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.874 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -56.56 20.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 75.35 110.882 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.7 pt -64.76 -34.12 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.121 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -53.88 53.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 65.23 110.946 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -74.47 -36.09 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 61.33 110.856 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.97 -35.89 71.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 75.2 110.946 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -50.93 43.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 63.41 110.926 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.69 HG23 ' O ' ' A' ' 126' ' ' ILE . 6.6 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 71.12 111.158 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.769 0.318 . . . . 71.01 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 51.64 79.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 55.24 110.86 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.38 -169.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.893 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.451 ' O ' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -51.6 -36.03 43.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.985 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.33 -52.17 55.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 74.42 111.125 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.11 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 34.11 111.115 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.59 -54.24 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.886 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 134' ' ' TYR . 72.2 t -60.26 -56.13 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 51.41 111.131 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -52.63 -50.91 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 70.43 110.902 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.792 ' CE1' HD13 ' A' ' 201' ' ' LEU . 29.9 t60 -56.75 -53.13 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 53.45 110.838 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.462 ' O ' HG23 ' A' ' 145' ' ' THR . 0.2 OUTLIER -52.38 -41.9 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 73.54 110.923 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -37.6 85.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 74.24 110.914 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.602 ' CB ' HD21 ' A' ' 201' ' ' LEU . 0.6 OUTLIER -69.11 -49.99 52.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.886 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 148' ' ' VAL . 8.0 tp -62.68 -35.92 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 72.51 111.141 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 141' ' ' TYR . 13.9 p -67.41 -55.05 15.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.41 111.107 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.498 HG21 HD11 ' A' ' 115' ' ' LEU . 32.1 mm -58.15 -39.87 74.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 75.54 111.122 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 205' ' ' ARG . 26.4 tp -63.86 -56.76 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.873 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.656 HG22 HG11 ' A' ' 178' ' ' VAL . 92.9 t -59.7 -54.87 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.128 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -51.72 -54.29 29.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 60.42 110.828 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -54.17 -43.94 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 70.52 110.842 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -56.64 18.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 71.11 110.848 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -42.43 70.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 65.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -58.35 -61.38 2.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.838 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.0 mm -51.58 -60.2 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.128 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 43.7 mm -51.32 -44.33 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.01 111.158 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -54.36 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 70.33 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.898 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 51.3 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.848 0.356 . . . . 74.01 111.117 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.1 tt -54.9 -53.49 54.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 62.2 110.949 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . 0.599 ' N ' HD23 ' A' ' 173' ' ' LEU . 1.0 OUTLIER -51.56 -47.65 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.841 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -52.91 -56.85 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.166 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.564 ' O ' HG23 ' A' ' 180' ' ' VAL . 22.1 t -57.02 -39.71 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.135 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 173' ' ' LEU . 97.3 t -56.87 -64.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 64.33 111.139 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' VAL . . . . . 0.656 HG11 HG22 ' A' ' 148' ' ' VAL . 31.6 m -55.47 -33.43 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 63.53 111.128 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 175' ' ' ALA . 41.9 t -66.1 -59.93 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.159 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 176' ' ' VAL . 60.5 t -54.62 -34.23 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 71.24 111.103 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 19.7 m -68.2 -51.28 47.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 63.03 110.852 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 186' ' ' ILE . 31.1 t80 -55.36 -51.62 66.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 71.11 110.868 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' ILE . . . . . 0.49 ' O ' HG23 ' A' ' 187' ' ' VAL . 1.0 OUTLIER -62.32 -40.63 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 51.21 111.105 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.45 -53.04 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.933 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.73 -56.72 17.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.11 110.852 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 182' ' ' PHE . 18.4 pt -59.49 -34.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 65.22 111.121 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 183' ' ' ILE . 2.0 t -59.84 -53.18 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 70.44 111.136 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.404 ' N ' HG12 ' A' ' 187' ' ' VAL . 73.8 mt -65.68 -32.95 74.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.904 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 197' ' ' ALA . 1.3 tp -60.42 -50.25 74.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 70.43 110.884 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -70.91 -35.13 72.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 70.54 110.89 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -61.61 -165.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 73.42 110.916 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -92.42 25.96 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 65.45 110.893 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -95.9 44.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 74.51 110.865 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -45.14 131.63 7.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.946 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 7.6 t80 63.66 35.5 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.05 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.66 30.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.905 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.466 ' HB3' HD12 ' A' ' 189' ' ' LEU . . . -118.72 -48.33 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 73.12 111.071 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 15.0 mt -51.2 -34.76 33.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 65.32 110.899 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -48.83 -44.95 31.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 44.4 112.534 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.557 ' HA ' HD21 ' A' ' 203' ' ' LEU . 4.5 mm? -49.37 -45.09 45.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 71.2 110.948 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.792 HD13 ' CE1' ' A' ' 140' ' ' HIS . 9.6 tp -67.51 -43.18 81.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 53.41 110.942 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 14.9 mm -56.66 -58.28 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.118 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 200' ' ' LEU . 0.9 OUTLIER -56.55 -45.55 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 54.13 110.909 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.725 HD13 ' HE1' ' A' ' 207' ' ' TRP . 0.8 OUTLIER -50.6 -60.71 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 62.34 110.923 179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 209' ' ' VAL . 0.0 OUTLIER -61.95 -34.29 75.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.897 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 26.0 tp -55.94 -70.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . 0.725 ' HE1' HD13 ' A' ' 204' ' ' LEU . 11.2 p-90 -59.31 -32.56 70.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 64.54 110.885 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -61.41 -75.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 74.23 110.834 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 209' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 205' ' ' ARG . 19.5 m -51.9 -33.05 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 71.21 111.113 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -59.84 -69.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 74.23 111.086 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -41.6 59.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.888 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 31.5 mm -60.15 -74.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 62.33 111.12 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 209' ' ' VAL . 4.4 mt -50.43 -59.46 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 62.02 111.115 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -50.6 -36.8 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 63.23 110.91 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -65.28 -42.95 95.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.796 -0.716 . . . . 41.43 112.457 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.586 ' O ' HG13 ' A' ' 220' ' ' VAL . 0.4 OUTLIER -67.79 -32.98 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 75.24 111.102 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 217' ' ' ILE . . . . . 0.403 HG22 ' HE2' ' A' ' 221' ' ' LYS . 36.7 mm -71.56 -41.22 72.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 62.21 111.14 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.409 ' HA ' ' HG2' ' A' ' 221' ' ' LYS . 19.9 tt -74.25 -27.93 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 60.13 111.119 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 28.4 t -77.13 -35.84 55.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.863 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 220' ' ' VAL . . . . . 0.877 HG11 HD11 ' A' ' 105' ' ' ILE . 35.8 m -78.57 -39.46 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 61.22 111.1 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 221' ' ' LYS . . . . . 0.409 ' HG2' ' HA ' ' A' ' 218' ' ' ILE . 6.9 ptpt -69.83 -36.72 75.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 64.54 110.901 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 7.5 t -74.32 -30.94 62.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 70.44 111.168 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.48 135.15 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.832 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 62.54 110.859 -179.839 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.833 0.349 . . . . 70.22 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.651 ' CE1' HD23 ' A' ' 92' ' ' LEU . 5.6 t80 -56.19 -48.0 77.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 73.42 110.845 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.554 ' HA ' HD21 ' A' ' 92' ' ' LEU . 6.7 mpt_? -59.21 -29.55 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.864 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.25 -51.2 7.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 44.11 112.498 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.6 ptm -57.47 -42.57 82.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 51.31 110.861 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 93' ' ' ARG . 4.7 pp -74.16 -35.73 64.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 74.41 110.889 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.666 ' N ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -60.0 -47.16 86.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.832 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -34.32 57.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.23 -50.26 73.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.587 ' HD1' HD11 ' A' ' 104' ' ' ILE . 0.2 OUTLIER -76.06 -49.18 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.892 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.0 t -52.3 -36.17 52.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.855 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 22.41 110.852 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.563 ' HA ' HD12 ' A' ' 104' ' ' ILE . 73.8 t80 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.837 0.351 . . . . 74.33 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -55.9 -56.14 24.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 64.11 110.935 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.5 t -52.03 -46.9 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 63.4 111.139 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.587 HD11 ' HD1' ' A' ' 96' ' ' PHE . 33.1 mt -55.59 -60.84 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.21 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.9 mm -53.01 -59.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 73.3 111.164 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.6 mm -51.5 -36.37 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 63.21 111.157 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.401 ' HA ' HG12 ' A' ' 110' ' ' VAL . 3.6 m -69.89 -34.35 73.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 61.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.65 -48.01 50.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 61.1 110.935 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 110' ' ' VAL . 19.5 m -63.36 -42.94 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 54.14 111.118 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.431 ' N ' HG23 ' A' ' 109' ' ' VAL . 8.8 p -70.29 -33.5 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 53.31 111.142 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.406 HD22 ' CG2' ' A' ' 146' ' ' ILE . 11.6 mt -66.22 -55.75 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.926 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.48 ' O ' HG23 ' A' ' 116' ' ' VAL . 1.2 m-20 -63.57 -41.31 98.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.87 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.38 89.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 61.35 111.112 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 110' ' ' VAL . 3.0 mm? -63.74 -47.08 82.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.93 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.83 -59.77 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.932 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 112' ' ' ASP . 85.2 t -52.57 -56.02 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 65.24 111.149 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.2 tt -53.82 -47.33 70.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 73.11 110.932 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.2 -47.51 68.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 63.12 111.123 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -62.77 -43.6 98.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.72 -56.62 18.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 73.3 110.942 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.3 pt -63.1 -33.48 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.13 111.111 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.31 -54.66 44.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.921 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -66.75 -47.72 71.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.24 110.881 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.2 mp -57.52 -31.32 65.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 54.41 110.943 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.502 ' HB3' HD12 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -69.51 -50.64 43.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.862 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.502 HD12 ' HB3' ' A' ' 125' ' ' LYS . 3.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.197 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 135' ' ' ALA . 13.0 mtmt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.766 0.317 . . . . 62.32 110.938 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 65.06 35.17 8.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 54.1 110.877 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 179.31 -80.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 70.35 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -78.24 -60.96 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 43.23 110.94 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 131' ' ' LYS . . . -57.94 -52.15 66.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 72.21 111.094 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -54.88 -44.36 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.51 111.075 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -53.49 57.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.885 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.31 -56.34 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 55.31 111.102 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -51.95 -51.46 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 73.43 110.865 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.54 ' CG ' HD23 ' A' ' 201' ' ' LEU . 26.4 m170 -62.83 -48.27 79.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.874 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -51.82 -54.32 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.914 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.1 ttp -62.08 -38.71 89.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 74.52 110.881 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.705 ' HB3' HD11 ' A' ' 201' ' ' LEU . 1.9 t -63.87 -67.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 64.43 110.849 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 145' ' ' THR . 2.5 pp -50.84 -36.45 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 74.41 111.143 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.427 ' N ' HD12 ' A' ' 144' ' ' ILE . 11.2 m -60.8 -55.77 29.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 61.04 111.135 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.406 ' CG2' HD22 ' A' ' 111' ' ' LEU . 39.2 mm -65.56 -48.59 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.02 111.137 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.1 tp -54.68 -59.9 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 64.52 110.945 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.07 -37.67 69.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 73.5 111.131 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -54.9 -62.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.939 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.7 -42.06 87.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.88 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -59.46 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.901 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 2.2 ttt -57.45 -37.13 72.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 71.52 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -52.48 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.3 110.874 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 49.7 mm -64.19 -56.55 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 65.32 111.106 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 80.9 mt -51.77 -60.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 61.52 111.154 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -51.96 -49.76 62.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.888 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 52.34 110.888 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 51.4 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.889 0.376 . . . . 71.42 111.149 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 177' ' ' VAL . 1.8 tt -57.07 -51.82 67.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.89 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . 0.724 ' O ' HG23 ' A' ' 178' ' ' VAL . 1.4 m-20 -50.65 -51.56 47.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.859 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -51.85 -54.15 32.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.43 111.086 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 92.7 t -60.1 -39.18 79.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 60.33 111.11 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 173' ' ' LEU . 91.5 t -66.68 -34.41 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.52 111.135 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 174' ' ' ASP . 92.6 t -70.36 -52.75 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 72.51 111.13 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' VAL . . . . . 0.612 HG22 HD12 ' A' ' 183' ' ' ILE . 4.3 p -58.14 -44.84 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.116 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 184' ' ' LEU . 8.9 p -68.62 -33.04 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 63.55 111.127 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.464 ' C ' HD21 ' A' ' 204' ' ' LEU . 0.4 OUTLIER -64.19 -53.64 46.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 44.02 110.85 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -62.78 -49.13 76.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 73.42 110.855 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 179' ' ' VAL . 88.3 mt -57.76 -55.88 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 65.03 111.126 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.582 ' CD1' HG22 ' A' ' 180' ' ' VAL . 52.8 mt -57.32 -35.38 69.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.887 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . 0.531 ' O ' HD13 ' A' ' 200' ' ' LEU . 6.0 t70 -61.02 -56.98 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 52.11 110.835 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 14.1 pt -65.92 -41.57 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 52.44 111.154 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 183' ' ' ILE . 46.9 t -54.5 -53.94 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 65.14 111.124 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.757 ' HB3' HD11 ' A' ' 200' ' ' LEU . 0.0 OUTLIER -69.89 -32.07 70.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.918 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 197' ' ' ALA . 1.2 tp -55.33 -50.79 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 43.43 110.926 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -81.02 -25.38 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.899 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -49.46 -71.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 54.45 110.887 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -85.59 -28.87 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.85 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.24 32.22 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.02 110.853 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -178.36 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.873 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -52.03 -26.91 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.54 110.855 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.29 -34.42 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 64.14 110.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 200' ' ' LEU . . . -51.05 -54.47 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 52.52 111.087 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 202' ' ' ILE . 4.3 mp -51.13 -40.16 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.942 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -51.48 -48.71 48.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 72.13 112.528 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.757 HD11 ' HB3' ' A' ' 188' ' ' LEU . 3.4 mt -51.02 -41.26 59.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 73.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 143' ' ' SER . 0.2 OUTLIER -67.42 -48.15 68.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.928 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 198' ' ' LEU . 1.4 mp -52.58 -59.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.141 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.631 HD13 ' CH2' ' A' ' 207' ' ' TRP . 1.2 pp -56.62 -44.41 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 63.24 110.891 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 203' ' ' LEU . 1.6 mp -50.98 -61.04 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 60.22 110.938 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' ARG . . . . . 0.565 ' O ' HG22 ' A' ' 209' ' ' VAL . 0.1 OUTLIER -58.7 -35.44 72.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.25 110.916 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 210' ' ' ALA . 1.6 tt -59.2 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 51.45 110.966 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . 0.631 ' CH2' HD13 ' A' ' 203' ' ' LEU . 29.1 m0 -61.22 -46.88 88.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.42 110.951 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 208' ' ' ARG . . . . . 0.546 ' NH2' HG11 ' A' ' 177' ' ' VAL . 0.0 OUTLIER -56.57 -68.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.886 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 209' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 205' ' ' ARG . 17.0 m -51.33 -32.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 54.22 111.126 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 206' ' ' LEU . . . -60.08 -68.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.44 111.079 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -51.38 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.914 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 42.6 mm -52.87 -69.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.02 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 49.1 mt -50.15 -59.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.121 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . 0.402 ' O ' HG22 ' A' ' 218' ' ' ILE . 5.6 t30 -49.69 -29.16 6.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.03 110.888 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -73.83 -49.87 12.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 75.32 112.476 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.2 tt -66.92 -35.4 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 73.31 111.102 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 217' ' ' ILE . . . . . 0.685 HG22 ' CE ' ' A' ' 221' ' ' LYS . 12.0 mm -70.52 -51.57 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 71.35 111.14 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 214' ' ' ASN . 13.8 tt -64.1 -31.0 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 71.43 111.12 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 25.7 t -76.85 -34.99 57.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.861 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 220' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 216' ' ' ILE . 38.0 t -77.96 -44.11 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 52.24 111.129 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 221' ' ' LYS . . . . . 0.685 ' CE ' HG22 ' A' ' 217' ' ' ILE . 3.7 ptpt -66.32 -37.86 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 60.43 110.888 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.1 t -73.36 -30.4 63.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 64.22 111.164 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -125.53 90.12 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.02 110.901 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 52.31 110.887 -179.824 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.854 0.359 . . . . 74.0 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 92' ' ' LEU . 33.3 t80 -70.98 -53.99 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.842 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.817 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.2 mmt180 -51.72 -37.81 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 71.24 110.89 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.21 -42.57 97.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 73.33 112.503 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.5 ttm -66.51 -38.21 86.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 73.14 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 89' ' ' ARG . 6.4 mt -65.42 -53.35 44.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.898 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -45.84 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.2 110.864 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -64.94 -35.82 82.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 63.11 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.68 -59.95 3.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 62.25 110.913 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.71 -51.16 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.863 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.6 m -53.27 -54.88 29.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 62.01 110.855 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 60.54 110.837 -179.822 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.422 ' C ' HD12 ' A' ' 105' ' ' ILE . 1.4 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 63.21 110.831 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.18 -34.88 33.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 64.02 110.931 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.7 t -64.17 -64.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 64.23 111.184 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.4 pt -55.21 -34.86 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.03 111.14 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 109' ' ' VAL . 29.6 mt -70.12 -67.55 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 60.13 111.128 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 110' ' ' VAL . 50.4 mt -51.4 -39.91 22.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 65.42 111.119 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.6 t -66.3 -49.59 66.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 53.31 110.883 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.48 -35.96 80.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.951 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 105' ' ' ILE . 98.7 t -66.96 -51.67 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 45.41 111.182 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 106' ' ' ILE . 93.9 t -58.75 -52.1 64.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 74.42 111.172 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -59.43 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.935 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 116' ' ' VAL . 31.1 t70 -52.1 -44.53 64.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.898 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.03 77.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 63.41 111.148 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -50.7 73.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.905 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -59.66 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 112' ' ' ASP . 91.2 t -51.99 -51.17 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 71.4 111.147 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 24.6 tp -51.88 -55.31 20.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.934 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.91 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 22.33 111.133 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.0 -35.82 79.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 61.34 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.89 -56.49 11.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 73.44 110.905 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 21.4 pt -59.97 -34.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 75.02 111.087 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.01 -56.8 5.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 71.11 110.916 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -58.43 -47.3 84.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 73.53 110.852 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.95 -45.16 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.912 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -54.83 -32.55 60.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.883 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.1 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 53.45 111.128 179.852 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.562 ' HG2' ' HB2' ' A' ' 135' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.857 0.361 . . . . 71.41 110.888 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.2 m120 56.98 42.95 25.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 63.51 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.67 -64.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 63.1 110.86 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.91 -56.81 4.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 74.12 110.923 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.562 ' HB2' ' HG2' ' A' ' 131' ' ' LYS . . . -51.46 -52.28 47.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 75.25 111.105 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.4 96.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 64.05 111.1 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -53.95 49.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.875 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.0 t -63.71 -52.18 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.1 111.096 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -51.72 -50.89 59.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 72.42 110.897 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -60.42 -50.82 72.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 73.44 110.83 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.23 -48.4 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.982 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -50.57 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 73.12 110.863 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.702 ' CB ' HD11 ' A' ' 201' ' ' LEU . 1.8 t -52.52 -47.76 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 42.31 110.878 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.597 HG23 ' HB ' ' A' ' 178' ' ' VAL . 41.0 mm -60.41 -49.54 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 75.02 111.081 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 10.4 m -52.68 -46.61 67.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 62.42 111.157 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 43.2 mm -64.74 -45.23 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.32 111.129 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 205' ' ' ARG . 7.1 mt -53.58 -57.91 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 74.03 110.927 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.663 ' CG2' HG11 ' A' ' 178' ' ' VAL . 60.0 t -58.72 -49.13 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 62.23 111.084 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -51.95 -55.63 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.51 110.904 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.577 ' HE2' HD11 ' A' ' 154' ' ' ILE . 1.0 OUTLIER -56.54 -43.93 80.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.883 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -59.13 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 63.3 110.835 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -41.34 76.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 62.52 110.919 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -54.46 -50.42 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 70.42 110.896 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.577 HD11 ' HE2' ' A' ' 150' ' ' PHE . 43.5 mm -64.15 -55.92 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 54.55 111.153 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 43.5 mm -52.01 -37.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 74.33 111.112 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.17 -59.92 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.907 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 73.51 110.889 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 176' ' ' VAL . 9.7 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.819 0.343 . . . . 62.41 111.124 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.5 tm? -52.58 -62.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.902 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -46.65 65.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.862 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.687 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -54.97 -56.56 18.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.24 111.129 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 172' ' ' ILE . 47.2 t -54.72 -37.47 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 65.24 111.125 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 173' ' ' LEU . 89.5 t -60.78 -59.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 74.32 111.075 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' VAL . . . . . 0.663 HG11 ' CG2' ' A' ' 148' ' ' VAL . 32.4 m -60.2 -27.3 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.147 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 175' ' ' ALA . 41.6 t -66.37 -60.61 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 75.31 111.164 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 22.8 m -60.52 -40.87 85.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 71.11 111.161 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.441 ' HB2' HD11 ' A' ' 204' ' ' LEU . 0.8 OUTLIER -62.91 -52.5 62.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 42.53 110.888 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' PHE . . . . . 0.431 ' CE2' HD13 ' A' ' 186' ' ' ILE . 79.7 t80 -55.47 -45.61 76.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 72.42 110.861 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' ILE . . . . . 0.668 HD13 HD11 ' A' ' 186' ' ' ILE . 26.2 mm -58.84 -46.94 90.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 71.03 111.135 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.0 -42.54 85.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.947 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . 0.495 ' OD1' HD12 ' A' ' 200' ' ' LEU . 2.5 m-20 -60.45 -58.25 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 75.04 110.863 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.668 HD11 HD13 ' A' ' 183' ' ' ILE . 15.5 pt -60.03 -40.89 84.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 70.43 111.108 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 183' ' ' ILE . 21.1 t -58.54 -43.16 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.51 111.149 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -36.27 80.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.882 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 197' ' ' ALA . 22.1 tp -60.99 -50.06 74.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 61.13 110.937 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.51 -25.89 59.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 63.24 110.856 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.05 -69.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.884 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -179.61 -34.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 75.52 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -77.3 57.92 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.885 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -55.92 169.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.933 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 5.3 t80 70.82 -69.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.876 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.46 -25.02 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' A' ' 189' ' ' LEU . . . -48.07 -37.99 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 75.53 111.071 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 59.3 mt -48.81 -35.83 15.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' GLY . . . . . 0.746 ' HA2' HD12 ' A' ' 202' ' ' ILE . . . -51.65 -44.94 54.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 72.13 112.513 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.567 ' HA ' HD21 ' A' ' 203' ' ' LEU . 0.4 OUTLIER -48.84 -49.97 36.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 60.4 110.9 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.702 HD11 ' CB ' ' A' ' 143' ' ' SER . 3.3 tm? -65.58 -36.66 84.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 63.31 110.93 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' ILE . . . . . 0.746 HD12 ' HA2' ' A' ' 199' ' ' GLY . 21.7 mt -63.87 -58.56 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 62.42 111.088 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 200' ' ' LEU . 1.8 pp -54.89 -38.34 67.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.874 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' LEU . . . . . 0.553 HD22 HD12 ' A' ' 203' ' ' LEU . 0.3 OUTLIER -62.82 -48.1 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 71.53 110.896 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' ARG . . . . . 0.736 ' HA ' HD11 ' A' ' 147' ' ' LEU . 48.7 ttp180 -58.61 -47.88 82.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.865 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -57.95 6.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 72.15 110.892 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' TRP . . . . . 0.424 ' CE3' HD13 ' A' ' 204' ' ' LEU . 8.5 t90 -52.05 -45.64 64.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 64.11 110.906 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 208' ' ' ARG . . . . . 0.445 ' CG ' HD22 ' A' ' 147' ' ' LEU . 4.8 tpm_? -61.07 -64.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 73.2 110.864 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 209' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 205' ' ' ARG . 88.0 t -50.18 -58.07 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.143 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.64 -44.77 47.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 73.23 111.079 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -59.36 -50.33 74.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 74.53 110.875 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 45.7 mm -54.18 -61.7 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.111 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 213' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 209' ' ' VAL . 3.7 mp -56.4 -59.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.105 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 214' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 218' ' ' ILE . 65.8 t30 -50.32 -28.56 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.862 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -73.76 -49.14 14.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 63.25 112.507 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 213' ' ' ILE . 0.0 OUTLIER -67.59 -34.13 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 54.42 111.181 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 217' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 213' ' ' ILE . 14.8 mm -71.36 -51.34 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.141 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 218' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 214' ' ' ASN . 8.4 tt -64.32 -32.37 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 60.15 111.119 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 39.3 t -76.88 -33.58 57.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.881 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 220' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 216' ' ' ILE . 9.4 t -76.34 -44.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 64.43 111.166 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -68.45 -37.47 80.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 65.24 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.14 -30.08 63.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 64.44 111.159 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -130.39 79.24 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 73.14 110.853 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 54.32 110.865 -179.785 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.958 0.409 . . . . 42.43 110.81 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -117.19 152.78 34.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 63.1 110.833 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.5 tpt 54.53 40.91 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 64.03 110.908 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -173.68 61.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 71.15 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 85' ' ' PRO . . . -174.06 160.3 2.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.562 0.696 . . . . 63.14 111.129 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 84' ' ' ALA . 53.5 Cg_endo -69.77 171.18 14.94 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.658 2.239 . . . . 75.11 112.33 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 86' ' ' LEU . 2.5 pp -159.02 -38.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.14 110.912 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.57 -35.69 20.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 70.23 110.894 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.743 ' CE2' HD11 ' A' ' 92' ' ' LEU . 25.1 t80 -71.65 -58.38 3.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.902 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.764 ' HA ' HD12 ' A' ' 92' ' ' LEU . 6.2 mpt_? -52.75 -38.13 60.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.44 110.854 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.34 -40.27 97.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 52.34 112.473 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.3 ttp -67.71 -39.12 84.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 74.51 110.856 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.764 HD12 ' HA ' ' A' ' 89' ' ' ARG . 7.1 mt -65.2 -53.39 45.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 65.43 110.909 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -44.76 95.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 74.02 110.842 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -66.34 -35.86 81.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.903 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.27 -55.96 17.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 43.41 110.914 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.3 -53.18 60.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.833 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.2 m -52.49 -51.91 57.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.802 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.0 p -56.41 -50.33 71.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.859 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -59.79 -36.23 76.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 51.24 110.874 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -95.37 39.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 70.31 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.81 -50.88 43.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 64.12 110.864 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -58.11 -42.14 85.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 54.02 110.931 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.06 -35.21 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 75.35 111.118 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 mm -70.67 -58.65 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 45.25 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 109' ' ' VAL . 10.5 tt -52.77 -42.98 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.099 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 110' ' ' VAL . 30.7 mm -68.98 -47.21 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 64.51 111.136 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.403 ' O ' HD23 ' A' ' 111' ' ' LEU . 36.2 t -58.95 -35.78 73.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 63.4 110.898 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -51.79 19.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.917 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 105' ' ' ILE . 89.7 t -56.16 -37.33 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 61.53 111.144 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 106' ' ' ILE . 94.3 t -72.77 -52.79 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 71.45 111.106 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 107' ' ' CYS . 2.4 mm? -53.44 -46.15 69.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 54.11 110.912 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.53 -53.63 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.859 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.86 -43.64 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.121 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.66 -49.71 61.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 43.24 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -53.25 58.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.4 110.941 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 64.7 t -59.57 -56.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 65.23 111.154 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.97 -55.28 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.25 110.916 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.11 -47.08 65.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 73.52 111.085 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.46 -34.27 75.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.935 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.9 tp -66.82 -56.77 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 61.42 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.9 pt -59.42 -34.17 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 64.25 111.146 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.31 -36.32 61.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 64.51 110.932 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -70.4 -36.28 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.898 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.599 ' O ' HD13 ' A' ' 127' ' ' ILE . 0.3 OUTLIER -53.75 -38.68 64.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 50.11 110.911 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -32.84 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 63.33 110.905 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 128' ' ' GLN . 37.2 mm -77.79 -28.57 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 71.54 111.119 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.599 HD13 ' O ' ' A' ' 124' ' ' LEU . 19.2 mm 72.79 -61.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 71.41 111.156 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.523 ' O ' HG22 ' A' ' 126' ' ' ILE . 12.4 mt-30 -142.07 158.46 61.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.637 0.732 . . . . 45.24 110.929 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 105.11 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.252 . . . . 73.21 112.385 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -122.73 38.25 4.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 32.13 110.874 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.9 -71.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 71.54 110.932 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.405 ' C ' HD11 ' A' ' 189' ' ' LEU . 2.3 m-80 51.73 71.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.867 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.59 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.861 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.45 -60.46 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 71.15 110.921 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.61 -52.18 60.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 54.21 111.085 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.66 74.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 73.51 111.107 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -54.79 33.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 22.2 m -67.64 -30.02 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 73.42 111.172 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -67.61 -50.89 55.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.54 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -66.16 -49.08 68.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 71.52 110.87 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.433 ' O ' HG23 ' A' ' 145' ' ' THR . 2.7 m-85 -57.05 -51.23 70.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 64.22 110.902 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -32.78 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 54.23 110.897 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.765 ' HB3' HD11 ' A' ' 201' ' ' LEU . 10.1 m -67.95 -64.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.855 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.617 HG21 ' CD2' ' A' ' 182' ' ' PHE . 2.0 pp -51.68 -40.81 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.14 111.144 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 141' ' ' TYR . 15.4 p -60.52 -60.79 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 74.14 111.166 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 35.1 mm -57.98 -35.09 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 63.13 111.124 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.63 HD11 ' HA ' ' A' ' 205' ' ' ARG . 2.6 mt -61.0 -65.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 73.53 110.884 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.22 -47.6 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 70.3 111.111 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -51.85 -58.89 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.865 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -59.46 -36.33 75.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 72.43 110.875 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -59.3 5.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 73.45 110.877 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.33 -35.9 81.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 75.32 110.888 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -56.37 -48.46 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.922 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.0 mm -72.61 -53.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.53 111.102 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 47.1 mt -51.66 -35.64 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.43 111.143 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -78.24 -51.29 10.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.843 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -54.28 -36.55 63.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 70.34 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.03 104.52 4.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 75.32 110.881 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -99.56 167.45 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.32 110.868 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 24.6 t -110.87 -69.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 75.11 111.127 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -124.85 -71.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 75.54 110.851 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.07 93.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 72.15 110.865 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.19 111.34 1.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 54.2 -170.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 72.23 110.903 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -87.37 -43.22 12.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.934 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -52.69 168.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 70.32 110.855 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -101.88 142.46 33.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 73.11 110.866 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.46 -176.38 3.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.836 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -65.35 -36.21 83.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 63.22 110.898 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -67.6 -37.24 82.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 62.13 110.911 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -67.04 -53.07 34.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.04 110.875 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 2.8 tt -62.87 -35.61 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 65.12 111.161 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.1 tt -53.01 -48.93 67.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 70.23 110.881 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 178' ' ' VAL . 79.2 m-20 -50.9 -48.2 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 62.31 110.859 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -57.3 -56.46 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.21 111.062 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 26.4 t -55.2 -51.69 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 74.12 111.146 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 173' ' ' LEU . 89.1 t -50.42 -50.1 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.155 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 174' ' ' ASP . 89.7 t -61.46 -38.52 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 73.33 111.13 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 175' ' ' ALA . 86.1 t -59.31 -50.81 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 74.1 111.088 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.458 HG12 HD12 ' A' ' 184' ' ' LEU . 21.8 t -63.06 -44.81 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.131 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.581 ' HB2' HD21 ' A' ' 204' ' ' LEU . 3.8 m -61.25 -53.33 58.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 63.04 110.849 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . 0.617 ' CD2' HG21 ' A' ' 144' ' ' ILE . 33.2 t80 -55.93 -58.79 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.876 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 187' ' ' VAL . 32.9 mm -51.45 -48.61 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 54.31 111.111 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 188' ' ' LEU . 16.7 mt -58.9 -37.32 76.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 63.04 110.917 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.76 -58.37 7.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.83 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.481 HD11 HD13 ' A' ' 183' ' ' ILE . 7.9 pt -59.69 -45.3 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 71.43 111.148 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 183' ' ' ILE . 53.8 t -57.69 -40.2 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 63.04 111.168 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.646 HD12 ' OE2' ' A' ' 196' ' ' GLU . 3.6 mm? -75.72 -26.18 57.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 70.34 110.886 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 132' ' ' ASN . 12.8 tp -67.35 -50.29 60.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.955 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -89.63 13.48 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.884 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' GLN . . . . . 0.441 ' HB2' ' HA ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -86.04 -169.39 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.2 110.905 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -101.21 87.48 3.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 61.42 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 63.4 110.858 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.94 161.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.942 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 11.6 t80 51.23 70.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 65.2 110.912 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' GLU . . . . . 0.646 ' OE2' HD12 ' A' ' 188' ' ' LEU . 1.5 pt-20 179.61 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 63.31 110.913 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -55.24 -44.56 75.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 70.13 111.132 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.7 ' O ' HD12 ' A' ' 202' ' ' ILE . 21.8 mt -49.64 -35.65 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 71.11 110.958 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -50.37 -46.5 44.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 73.42 112.521 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 204' ' ' LEU . 4.3 mm? -55.43 -38.56 69.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 75.42 110.898 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 143' ' ' SER . 0.2 OUTLIER -68.08 -47.53 68.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.92 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 198' ' ' LEU . 1.7 mp -54.59 -54.51 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 51.32 111.152 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 200' ' ' LEU . 2.6 pp -62.83 -37.25 86.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.927 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 200' ' ' LEU . 0.2 OUTLIER -55.71 -61.02 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.929 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ARG . . . . . 0.63 ' HA ' HD11 ' A' ' 147' ' ' LEU . 59.3 ttp85 -64.35 -32.99 74.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.878 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -67.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.944 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -39.0 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 70.44 110.909 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -71.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 74.34 110.857 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' VAL . . . . . 0.527 HG12 HD13 ' A' ' 213' ' ' ILE . 72.2 t -50.62 -53.45 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 61.24 111.119 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -50.3 -48.93 54.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 63.3 111.104 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -57.44 -48.61 78.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 42.4 mm -54.47 -64.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . 0.527 HD13 HG12 ' A' ' 209' ' ' VAL . 3.8 mp -55.29 -58.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.44 111.171 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -50.12 -28.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.898 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -74.03 -49.72 12.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 75.03 112.509 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.1 tt -66.81 -35.42 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 74.31 111.141 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' ILE . . . . . 0.689 HG22 ' HE2' ' A' ' 221' ' ' LYS . 12.4 mm -70.91 -50.86 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.166 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 13.9 tt -64.41 -31.22 52.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 65.31 111.114 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 82.7 p -76.98 -34.96 57.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 70.33 110.866 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 216' ' ' ILE . 37.7 t -78.05 -43.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 63.22 111.128 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' LYS . . . . . 0.689 ' HE2' HG22 ' A' ' 217' ' ' ILE . 3.8 ptpt -66.49 -37.83 85.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 70.15 110.866 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.4 -30.33 63.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 55.11 111.146 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -80.01 -46.99 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.87 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.84 177.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 71.01 110.835 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -35.0 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 75.33 110.852 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 64.13 110.864 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.944 0.402 . . . . 74.43 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -167.26 131.34 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 54.42 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.6 mmm 53.0 68.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 71.04 110.859 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -173.99 65.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 85' ' ' PRO . . . -51.61 160.42 1.04 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 63.31 111.121 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 84' ' ' ALA . 53.7 Cg_endo -69.7 178.49 4.48 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 70.53 112.369 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 86' ' ' LEU . 2.1 pp -170.47 -37.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 65.11 110.91 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.22 -36.48 24.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.856 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.74 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 22.6 t80 -71.98 -53.17 13.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 73.14 110.902 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.824 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -52.7 -39.78 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 75.44 110.896 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.04 -41.73 99.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 41.21 112.511 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.457 ' O ' HD23 ' A' ' 95' ' ' LEU . 17.4 ttp -65.3 -40.06 93.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 63.1 110.893 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.9 mt -64.33 -52.57 57.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 70.34 110.915 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.0 mtt-85 -59.37 -43.97 92.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 62.4 110.884 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -35.81 82.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.893 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 91' ' ' MET . 1.6 mm? -68.19 -52.8 30.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 72.03 110.928 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -39.66 88.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.731 ' OG ' HG11 ' A' ' 103' ' ' VAL . 20.2 t -71.24 -58.46 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.864 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.3 t -52.04 -35.6 47.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 64.23 110.893 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -80.77 -35.36 33.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 73.21 110.839 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.77 113.97 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.846 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.587 ' HA ' HD12 ' A' ' 104' ' ' ILE . 15.3 m-85 -49.56 -38.13 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 74.32 110.874 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -64.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 62.4 110.913 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.731 HG11 ' OG ' ' A' ' 97' ' ' SER . 83.2 t -51.43 -31.45 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.33 111.169 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 101' ' ' PHE . 50.5 mt -69.07 -74.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 64.44 111.163 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 109' ' ' VAL . 2.3 pp -50.91 -35.59 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 75.11 111.089 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 110' ' ' VAL . 68.4 mt -67.39 -49.22 73.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.4 111.126 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.2 -35.97 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 61.03 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -51.79 35.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 61.42 110.896 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 105' ' ' ILE . 91.2 t -57.52 -42.44 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 65.31 111.137 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 106' ' ' ILE . 96.0 t -65.67 -53.45 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 73.14 111.135 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.64 -53.81 54.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.11 110.923 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 116' ' ' VAL . 38.7 t70 -56.08 -59.37 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 74.01 110.851 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.92 63.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 74.35 111.102 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.581 HD12 HG12 ' A' ' 110' ' ' VAL . 5.6 mt -61.54 -56.06 24.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.953 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.27 -48.32 76.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.914 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 112' ' ' ASP . 83.3 t -56.43 -55.52 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.141 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.95 -53.38 57.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 74.43 110.889 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.79 -53.21 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 70.1 111.086 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.04 -36.08 80.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 54.42 110.892 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.56 -56.18 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 43.14 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.3 pt -65.09 -34.13 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 61.33 111.09 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -49.85 73.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.928 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -74.52 -34.76 63.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.86 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.56 -33.51 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 60.33 110.893 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -90.19 -30.27 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.911 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.3 mp 61.21 100.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.096 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 48.0 mm -53.47 -26.3 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 75.14 111.126 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -177.43 157.65 1.26 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.549 0.69 . . . . 71.45 110.931 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 79.36 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.677 2.252 . . . . 64.34 112.338 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.12 121.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.1 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.57 -168.03 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 64.21 110.888 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 58.28 34.96 24.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 70.4 110.87 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.34 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 51.12 110.907 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -76.81 -60.47 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.968 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.94 -52.28 63.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 75.31 111.131 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.584 ' CB ' HD11 ' A' ' 189' ' ' LEU . . . -57.63 -38.31 74.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 63.3 111.121 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -53.93 50.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.869 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.01 -48.13 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 55.24 111.135 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -57.78 -50.56 72.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 74.4 110.881 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.718 ' CD2' HD22 ' A' ' 201' ' ' LEU . 12.7 m170 -59.01 -51.88 68.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 71.23 110.811 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -50.63 -54.87 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 60.44 110.905 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 6.0 ttt -54.27 -55.44 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 73.43 110.918 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.91 -58.42 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 63.45 110.8 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.727 HG21 ' CD2' ' A' ' 182' ' ' PHE . 7.5 mt -54.26 -45.31 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 64.45 111.132 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 94.1 m -51.77 -53.47 39.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 73.54 111.114 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.59 -37.94 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 73.45 111.13 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 208' ' ' ARG . 13.4 tp -59.45 -65.97 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.932 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 37.1 t -54.65 -43.71 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 42.52 111.087 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -51.7 -58.71 5.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.2 110.87 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -48.24 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 62.22 110.902 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 0.522 ' SD ' HD11 ' A' ' 212' ' ' ILE . 5.4 tpt -52.35 -54.39 32.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 72.34 110.894 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -41.02 78.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.11 110.897 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -59.91 -46.21 90.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.879 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.97 -62.04 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 41.13 111.1 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.685 HD11 ' HG2' ' A' ' 171' ' ' GLU . 1.6 tt -51.58 -33.62 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 63.41 111.147 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -67.15 -57.38 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 73.54 110.854 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.21 66.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 73.12 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 5.7 tp -88.67 50.22 1.93 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 62.14 110.941 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -179.16 163.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.857 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.6 p -52.22 135.82 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 53.11 111.138 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -51.96 -74.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 73.51 110.917 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 58.68 177.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 75.01 110.86 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.75 -36.31 2.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 70.51 110.949 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.76 170.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.918 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -96.21 -36.14 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.921 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.98 155.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 64.14 110.901 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -139.86 -179.69 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 74.44 110.89 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.63 174.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -67.68 -55.31 13.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.912 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -52.89 -42.27 65.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 73.43 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.685 ' HG2' HD11 ' A' ' 155' ' ' ILE . 8.9 mt-10 -52.55 -35.9 54.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.863 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.722 ' O ' HG23 ' A' ' 176' ' ' VAL . 74.3 mt -51.61 -47.47 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 75.04 111.167 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 173' ' ' LEU . 3.2 tm? -51.7 -54.23 30.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.914 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.642 ' O ' HG23 ' A' ' 178' ' ' VAL . 98.7 m-20 -51.99 -52.07 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 61.25 110.912 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.58 -36.6 69.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 61.53 111.089 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 172' ' ' ILE . 95.3 t -64.03 -59.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 70.24 111.1 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.58 -30.57 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.136 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 174' ' ' ASP . 43.2 t -66.69 -57.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.14 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.47 -35.06 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 55.25 111.09 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 176' ' ' VAL . 57.4 t -64.43 -47.25 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.5 111.122 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.709 ' O ' HD21 ' A' ' 204' ' ' LEU . 1.3 p -65.81 -45.02 83.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 75.03 110.899 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . 0.727 ' CD2' HG21 ' A' ' 144' ' ' ILE . 7.3 t80 -56.48 -59.01 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 75.43 110.85 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ILE . . . . . 0.98 HD12 HD11 ' A' ' 186' ' ' ILE . 8.3 tp -59.38 -35.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 73.44 111.174 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.49 -48.91 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 70.2 110.905 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . 0.572 ' HB2' HD22 ' A' ' 204' ' ' LEU . 3.3 t70 -60.23 -56.54 20.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.876 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.98 HD11 HD12 ' A' ' 183' ' ' ILE . 19.7 pt -57.67 -33.29 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.22 111.125 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 183' ' ' ILE . 2.6 t -70.84 -52.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 70.1 111.12 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -28.85 68.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.885 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.658 HD22 ' CE1' ' A' ' 140' ' ' HIS . 14.8 tp -78.67 -41.38 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.889 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -92.31 14.4 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.878 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -152.83 -179.02 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.904 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.07 -166.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.83 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -51.88 -25.51 8.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.823 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 58.89 -178.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 61.01 110.896 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 74.07 -61.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.91 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -91.29 36.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 71.23 110.923 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -101.94 -20.47 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.44 111.089 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 12.7 mt -45.99 -35.0 4.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.03 -41.69 29.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 62.52 112.471 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.541 ' HA ' HD21 ' A' ' 203' ' ' LEU . 2.4 mm? -55.31 -42.83 74.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 74.41 110.947 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.718 HD22 ' CD2' ' A' ' 140' ' ' HIS . 8.5 tp -66.07 -42.92 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.896 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 14.8 mm -57.25 -59.83 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 72.23 111.118 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.607 HD13 ' CH2' ' A' ' 207' ' ' TRP . 1.0 OUTLIER -55.73 -43.55 76.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.924 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.709 HD21 ' O ' ' A' ' 181' ' ' SER . 1.9 mp -51.55 -60.13 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 72.15 110.923 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 209' ' ' VAL . 2.2 ttt-85 -56.95 -45.14 83.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 73.45 110.839 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.72 -42.95 76.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 70.35 110.91 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . 0.607 ' CH2' HD13 ' A' ' 203' ' ' LEU . 47.7 m0 -64.04 -58.23 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.911 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.664 ' HB2' HD11 ' A' ' 147' ' ' LEU . 1.1 mmp_? -55.76 -58.46 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.915 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' VAL . . . . . 0.507 HG12 HD13 ' A' ' 213' ' ' ILE . 95.9 t -50.09 -58.49 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.104 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.81 -41.33 44.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 63.41 111.104 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -47.13 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.872 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . 0.522 HD11 ' SD ' ' A' ' 151' ' ' MET . 49.1 mm -59.06 -61.71 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 62.14 111.117 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . 0.507 HD13 HG12 ' A' ' 209' ' ' VAL . 3.7 mp -53.35 -58.32 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.151 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -49.79 -38.97 36.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.868 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -65.33 -42.37 96.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 74.1 112.505 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.558 ' O ' HG23 ' A' ' 220' ' ' VAL . 0.4 OUTLIER -66.39 -33.26 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 72.21 111.152 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 34.8 mm -71.11 -46.51 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 71.54 111.155 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 19.3 tt -67.84 -31.84 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 70.31 111.139 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . 0.418 ' HA ' HG22 ' A' ' 222' ' ' THR . 2.9 t -75.95 -34.55 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 72.51 110.84 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 216' ' ' ILE . 41.4 t -76.41 -37.97 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 73.25 111.133 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -74.53 -37.17 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 64.23 110.921 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . 0.418 HG22 ' HA ' ' A' ' 219' ' ' SER . 7.2 t -73.18 -30.8 63.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 72.34 111.143 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -36.6 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 74.43 110.839 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.35 165.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.861 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.81 -34.99 73.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.911 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 74.44 110.882 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.909 0.385 . . . . 75.22 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -52.64 -55.63 21.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.857 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -176.48 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.88 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.15 38.53 20.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.857 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' A' ' 85' ' ' PRO . . . -53.26 160.47 1.7 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 44.13 111.065 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' A' ' 84' ' ' ALA . 53.7 Cg_endo -69.75 -177.17 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 71.13 112.328 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 86' ' ' LEU . 2.1 pp -169.55 -37.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.936 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -37.32 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 61.4 110.825 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.748 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 24.0 t80 -71.85 -53.06 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.902 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' A' ' 92' ' ' LEU . 17.7 mmm180 -52.5 -40.18 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.876 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.47 -38.56 96.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 72.22 112.506 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.4 ttp -67.91 -39.31 83.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 71.05 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.748 HD21 ' CZ ' ' A' ' 88' ' ' PHE . 8.0 mt -65.83 -52.19 52.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 73.31 110.901 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -45.07 95.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 75.54 110.831 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -67.04 -36.13 81.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 61.33 110.892 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.72 -52.28 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -64.45 -45.63 86.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.908 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 t -58.1 -44.33 87.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 62.51 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -71.6 -38.62 70.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.877 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -65.38 -59.3 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 61.14 110.856 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.27 -75.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.869 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -52.01 -56.28 15.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 72.54 110.859 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.691 ' HA ' HD12 ' A' ' 105' ' ' ILE . 32.3 tt0 -51.92 -42.57 62.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.892 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.87 -47.87 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 72.4 111.153 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.76 -35.73 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 102' ' ' GLN . 28.7 mt -65.64 -61.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 74.44 111.167 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 110' ' ' VAL . 3.5 tt -57.06 -35.69 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.51 111.175 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.17 -48.96 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 63.21 110.882 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.708 HD13 ' CE2' ' A' ' 150' ' ' PHE . 21.3 tp -65.27 -43.03 92.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.911 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 105' ' ' ILE . 90.0 t -59.06 -55.48 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 70.2 111.145 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 106' ' ' ILE . 61.8 t -61.66 -53.63 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.188 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.499 HD23 ' HE1' ' A' ' 150' ' ' PHE . 15.9 tp -54.24 -62.44 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 72.52 110.874 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.49 ' O ' HG23 ' A' ' 116' ' ' VAL . 30.5 t70 -51.91 -41.57 62.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.898 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.75 76.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 64.31 111.1 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.15 -53.44 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 70.52 110.932 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 mt -55.29 -59.72 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.917 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 112' ' ' ASP . 97.8 t -53.88 -39.71 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 63.11 111.127 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.04 -55.38 35.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.912 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.36 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 72.31 111.097 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -35.65 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 73.23 110.874 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.07 -54.9 26.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.23 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.0 pt -63.18 -34.2 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.153 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 1.061 HD22 HD11 ' A' ' 127' ' ' ILE . 14.4 mt -71.49 -40.53 70.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.993 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -74.41 -35.56 63.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.13 110.885 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -70.76 -34.25 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.941 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -32.72 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.955 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.1 mp 61.23 96.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 63.2 111.134 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 1.061 HD11 HD22 ' A' ' 122' ' ' LEU . 4.4 mp -55.39 -28.57 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 72.21 111.157 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.569 HE21 HG22 ' A' ' 127' ' ' ILE . 72.2 mm-40 -146.4 119.5 5.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 73.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 89.34 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.608 2.206 . . . . 73.15 112.381 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -154.9 -168.28 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.866 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.63 140.24 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 62.33 110.904 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 59.28 85.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 65.02 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.34 -169.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 52.33 110.899 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.412 ' O ' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -51.83 -38.9 57.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.01 110.896 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.86 -52.55 59.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 61.13 111.143 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 1.138 ' HB1' HD11 ' A' ' 189' ' ' LEU . . . -63.1 -53.27 56.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 72.21 111.111 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -53.65 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.872 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 134' ' ' TYR . 52.0 t -58.96 -52.82 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 75.11 111.127 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -52.02 -51.22 58.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 64.45 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.606 ' NE2' HD13 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -63.0 -50.21 71.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 75.55 110.859 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -51.51 -47.19 63.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.955 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 4.3 ttt -62.19 -52.47 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 63.21 110.855 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.626 ' CB ' HD11 ' A' ' 201' ' ' LEU . 4.4 m -51.78 -54.43 28.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 61.42 110.805 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.553 ' CD1' HD22 ' A' ' 204' ' ' LEU . 41.7 mm -56.68 -45.52 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.144 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 95.2 m -54.36 -45.75 72.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 35.41 111.131 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 42.5 mm -65.31 -44.5 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.32 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.703 HD11 ' HA ' ' A' ' 205' ' ' ARG . 12.9 mt -55.23 -60.76 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.947 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 41.8 t -58.39 -43.72 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.31 111.137 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -51.74 -55.48 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.851 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.708 ' CE2' HD13 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -61.4 -41.44 97.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.859 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 0.597 ' SD ' HD11 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -51.97 -59.53 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.05 110.897 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.403 ' HA ' HD12 ' A' ' 155' ' ' ILE . 20.9 mmt -61.81 -40.38 95.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.891 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -52.19 -45.8 65.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.6 mm -72.68 -49.33 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 63.12 111.135 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.597 HD11 ' SD ' ' A' ' 151' ' ' MET . 26.8 mt -51.8 -37.46 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.151 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -82.89 -45.88 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.856 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -52.76 54.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 51.34 110.891 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -94.84 169.6 10.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 63.42 110.902 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.15 168.63 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.906 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.2 m -99.76 -179.43 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 61.44 111.108 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -103.43 -61.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -124.85 148.09 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 71.12 110.859 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.9 mp -129.14 71.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 64.21 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.25 -177.41 5.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.892 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -56.43 -44.92 80.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.21 110.875 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -113.57 123.96 51.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 65.51 110.927 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -84.31 176.01 9.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.526 ' O ' HG22 ' A' ' 172' ' ' ILE . 0.1 OUTLIER -53.03 148.12 8.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.878 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.35 -38.89 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.924 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -76.83 -39.93 49.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.871 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -59.41 -53.12 61.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.857 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 168' ' ' HIS . 8.0 tp -67.42 -35.27 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.14 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.0 tt -54.79 -52.38 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 63.23 110.887 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.702 ' O ' HG23 ' A' ' 178' ' ' VAL . 1.4 m-20 -50.94 -50.76 57.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.869 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -54.9 -49.49 71.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 61.12 111.072 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 180' ' ' VAL . 88.6 t -63.48 -35.29 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.53 111.156 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 173' ' ' LEU . 96.9 t -72.12 -33.61 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 72.34 111.12 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 174' ' ' ASP . 88.9 t -72.75 -43.31 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.34 111.132 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' VAL . . . . . 0.655 ' O ' HG22 ' A' ' 183' ' ' ILE . 7.6 p -68.43 -43.35 84.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 75.44 111.165 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 176' ' ' VAL . 10.5 p -68.52 -37.77 78.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 72.35 111.164 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.525 ' C ' HD11 ' A' ' 204' ' ' LEU . 85.0 p -71.6 -40.01 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 62.42 110.859 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.75 -53.04 53.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 70.13 110.87 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 179' ' ' VAL . 11.0 tt -62.99 -41.37 92.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 74.32 111.116 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.758 HD23 HD11 ' A' ' 200' ' ' LEU . 3.7 tp -68.62 -29.06 67.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 65.13 110.882 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.09 -51.03 23.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 63.04 110.903 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 187' ' ' VAL . 11.9 pt -60.86 -45.08 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 54.33 111.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 183' ' ' ILE . 22.0 m -66.02 -37.82 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.128 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.448 HD22 ' CD2' ' A' ' 193' ' ' HIS . 21.3 mt -73.15 -31.2 64.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.953 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 1.138 HD11 ' HB1' ' A' ' 136' ' ' ALA . 1.1 tp -70.17 -48.19 58.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.929 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -64.17 -41.04 97.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.879 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -174.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 71.43 110.93 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -103.97 35.81 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 62.44 110.857 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' HIS . . . . . 0.448 ' CD2' HD22 ' A' ' 188' ' ' LEU . 0.1 OUTLIER -61.69 -34.72 76.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.11 110.861 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? 66.47 124.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.948 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 74.51 -59.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.857 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -27.89 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.872 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.786 ' HB1' HD12 ' A' ' 189' ' ' LEU . . . -46.23 -64.54 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 64.5 111.073 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.01 -36.45 61.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 54.14 110.925 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.74 -45.52 39.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 75.55 112.501 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.758 HD11 HD23 ' A' ' 184' ' ' LEU . 1.9 mm? -53.38 -40.25 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 52.01 110.905 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.626 HD11 ' CB ' ' A' ' 143' ' ' SER . 0.2 OUTLIER -68.58 -44.61 74.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 71.24 110.902 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 13.1 mm -55.11 -57.81 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.45 111.186 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.604 HD21 ' HA ' ' A' ' 200' ' ' LEU . 1.2 pp -57.39 -43.98 84.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.925 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 144' ' ' ILE . 0.0 OUTLIER -50.99 -61.23 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.92 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' ARG . . . . . 0.703 ' HA ' HD11 ' A' ' 147' ' ' LEU . 0.7 OUTLIER -61.79 -34.41 75.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 72.24 110.881 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -70.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.919 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -57.89 -31.32 66.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.863 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.619 ' HD3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -62.5 -74.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 73.32 110.885 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 205' ' ' ARG . 13.8 p -51.15 -35.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.23 111.113 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -60.44 -59.42 5.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 61.01 111.071 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -55.34 -38.33 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.04 110.874 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . 0.522 HD11 HH21 ' A' ' 208' ' ' ARG . 33.1 mm -59.28 -69.24 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.15 111.146 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . 0.646 HD13 HG22 ' A' ' 209' ' ' VAL . 3.3 mp -58.31 -59.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 63.05 111.168 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -50.56 -32.69 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.4 110.913 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.46 -45.14 55.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 70.43 112.498 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 220' ' ' VAL . 1.7 tt -65.21 -33.79 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 54.31 111.137 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' ILE . . . . . 0.656 HG22 ' HE2' ' A' ' 221' ' ' LYS . 31.8 mm -71.84 -50.69 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 61.32 111.127 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 21.4 tt -63.43 -31.91 54.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.169 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 5.0 t -76.7 -35.18 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.834 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 216' ' ' ILE . 35.1 t -76.98 -42.57 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 61.42 111.123 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' LYS . . . . . 0.656 ' HE2' HG22 ' A' ' 217' ' ' ILE . 4.0 ptpt -68.58 -37.77 80.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 72.11 110.91 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.25 -30.39 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 71.25 111.136 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -144.27 110.53 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 60.53 110.867 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 2.4 t -158.95 105.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.848 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -88.27 -35.06 17.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 73.42 110.845 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 71.04 110.869 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.906 0.384 . . . . 72.22 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -91.54 -36.24 13.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.849 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.88 52.14 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 73.01 110.859 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -125.8 36.12 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.843 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 57.88 75.08 0.57 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.724 . . . . 74.32 111.137 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 170.86 15.56 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 72.53 112.348 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 87' ' ' ASP . 3.5 pp -149.14 -40.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 71.04 110.966 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.423 ' N ' HD12 ' A' ' 86' ' ' LEU . 1.3 t70 -89.6 -38.82 13.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 61.34 110.879 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.755 ' CE2' HD11 ' A' ' 92' ' ' LEU . 28.1 t80 -71.82 -58.43 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.874 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.798 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.68 -39.19 61.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 65.55 110.883 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.13 99.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 32.12 112.503 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.82 -40.08 91.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 73.04 110.865 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.2 mt -64.57 -54.08 37.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.913 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -59.09 -42.39 90.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 52.43 110.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -67.54 -40.26 85.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 63.22 110.911 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.56 -53.92 51.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.912 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.47 -55.85 23.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 90.3 p -52.2 -36.45 52.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 70.44 110.826 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.7 t -69.2 -67.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.895 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -151.72 64.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 62.34 110.897 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.582 ' CD ' HD11 ' A' ' 104' ' ' ILE . 10.1 ttm180 -52.06 -55.68 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 61.33 110.858 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.814 ' HA ' HD12 ' A' ' 104' ' ' ILE . 47.5 p90 -50.85 -41.21 57.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 72.52 110.865 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -60.41 -49.93 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.952 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.48 -32.91 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 75.11 111.097 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 101' ' ' PHE . 35.2 mt -66.55 -59.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 61.44 111.163 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 109' ' ' VAL . 10.1 tt -56.79 -39.77 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 64.24 111.16 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.544 ' O ' HG23 ' A' ' 110' ' ' VAL . 63.2 mt -69.21 -43.11 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 74.01 111.161 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.0 t -63.43 -35.65 81.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 52.22 110.845 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.23 -51.78 19.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 64.43 110.883 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 105' ' ' ILE . 84.9 t -56.51 -44.5 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.156 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 106' ' ' ILE . 97.9 t -69.52 -44.83 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 74.22 111.101 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.67 HD22 HG23 ' A' ' 146' ' ' ILE . 12.8 mt -54.51 -55.91 24.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 75.04 110.909 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.89 -49.38 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.891 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.81 -47.95 64.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 72.1 111.095 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.07 -43.32 87.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 72.43 110.907 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.76 -59.64 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.891 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.07 -54.59 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 55.33 111.095 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.4 tp -51.91 -55.34 20.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 63.44 110.911 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.624 ' O ' HD12 ' A' ' 122' ' ' LEU . . . -52.79 -45.02 67.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.51 111.098 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.94 -35.91 79.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -56.51 9.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 65.51 110.899 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.8 pt -59.0 -34.56 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 70.21 111.118 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -69.73 -56.79 6.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.902 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -52.48 50.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.44 110.882 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.64 -33.82 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 64.21 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -54.49 -50.58 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.35 110.864 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 2.6 pt -114.54 35.66 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.105 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 16.7 mm 70.56 -70.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 71.22 111.116 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -173.17 154.55 2.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 74.41 110.903 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 104.37 1.3 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.661 2.241 . . . . 63.25 112.351 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.41 -40.57 3.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 74.04 110.873 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -36.12 47.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.951 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 51.65 86.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.873 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 179.48 -76.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 71.13 110.898 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -77.15 -60.55 2.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 65.04 110.954 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.52 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 74.52 111.095 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 1.054 ' HB1' HD11 ' A' ' 189' ' ' LEU . . . -54.0 -44.65 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 55.55 111.148 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -54.18 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 64.04 110.841 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 67.1 t -51.58 -55.99 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 71.13 111.098 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.466 ' HE1' HD13 ' A' ' 122' ' ' LEU . 25.9 m-85 -53.31 -50.96 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.87 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.733 ' CD2' HD22 ' A' ' 189' ' ' LEU . 0.3 OUTLIER -57.59 -45.08 85.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.872 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.72 -49.95 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 73.02 110.908 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 2.4 mtp -61.16 -38.6 87.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.851 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.704 ' CB ' HD11 ' A' ' 201' ' ' LEU . 4.1 t -60.24 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 70.54 110.821 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 7.2 tp -58.86 -35.38 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 63.23 111.138 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 70.4 m -59.74 -56.09 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 63.52 111.174 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.67 HG23 HD22 ' A' ' 111' ' ' LEU . 74.8 mt -65.94 -34.61 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.145 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 208' ' ' ARG . 9.1 tp -61.06 -63.74 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 63.32 110.898 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.71 -49.17 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.114 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -51.92 -59.06 4.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.868 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.03 -50.67 63.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 75.45 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -49.48 62.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.88 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -42.4 90.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 62.44 110.895 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -60.25 -42.48 95.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.92 -61.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 64.14 111.14 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 25.2 pt -53.55 -32.46 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.11 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.13 -58.49 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 75.44 110.898 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -50.07 69.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 62.32 165.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.27 -0.423 . . . . 63.42 110.895 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -117.88 -45.26 2.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.851 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.7 m -65.88 -177.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 70.24 111.125 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -110.03 82.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.893 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -148.29 41.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 74.34 110.87 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.32 -170.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 73.32 110.903 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.46 43.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 70.3 110.878 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.59 -45.41 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 65.3 110.856 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -99.93 179.99 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -109.8 -179.7 3.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.885 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -122.4 179.44 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 64.11 110.887 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -41.05 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 54.45 110.975 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -53.24 -35.89 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.834 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -35.8 46.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 75.31 110.867 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.68 ' O ' HG23 ' A' ' 176' ' ' VAL . 51.1 mm -51.63 -56.63 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 74.43 111.164 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.53 HD23 ' N ' ' A' ' 174' ' ' ASP . 4.4 tt -52.27 -56.9 11.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.931 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.53 ' N ' HD23 ' A' ' 173' ' ' LEU . 21.3 t0 -51.74 -51.54 55.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 70.23 110.841 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 179' ' ' VAL . . . -55.21 -37.58 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.096 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 172' ' ' ILE . 68.5 t -72.66 -30.84 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.105 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 173' ' ' LEU . 99.0 t -76.66 -39.26 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.54 111.128 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 29.2 m -70.44 -38.64 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 61.13 111.121 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 175' ' ' ALA . 30.8 m -72.47 -44.25 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 64.4 111.104 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.482 ' N ' HG23 ' A' ' 179' ' ' VAL . 8.9 p -68.64 -37.42 77.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 45.42 111.121 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.708 ' C ' HD21 ' A' ' 204' ' ' LEU . 83.6 p -68.99 -51.58 37.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 55.13 110.849 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -57.86 -48.34 80.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.883 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 187' ' ' VAL . 66.9 mt -57.4 -51.18 72.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.01 111.126 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -38.08 74.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.916 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . 0.521 ' OD2' HD23 ' A' ' 201' ' ' LEU . 0.8 OUTLIER -62.33 -57.37 11.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.835 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.1 pt -61.99 -40.84 88.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 72.43 111.131 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 183' ' ' ILE . 37.8 t -55.7 -48.69 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 70.41 111.178 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.775 HD13 HD21 ' A' ' 200' ' ' LEU . 0.1 OUTLIER -72.9 -30.75 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 74.04 110.932 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 1.054 HD11 ' HB1' ' A' ' 136' ' ' ALA . 16.9 tp -58.74 -50.39 74.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.922 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -79.98 -23.95 41.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.34 110.848 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -45.7 -38.65 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 43.4 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -163.66 169.62 18.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 63.42 110.856 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -90.99 45.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 70.12 110.833 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.4 121.47 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.879 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' PHE . . . . . 0.444 ' CE2' HD12 ' A' ' 198' ' ' LEU . 1.8 t80 -50.16 -34.31 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.867 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -51.77 -33.33 34.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.903 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 189' ' ' LEU . . . -52.02 -47.47 64.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 70.25 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.444 HD12 ' CE2' ' A' ' 195' ' ' PHE . 8.4 mt -50.35 -34.86 25.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.942 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -49.36 -41.76 32.61 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.763 -0.732 . . . . 71.33 112.483 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.775 HD21 HD13 ' A' ' 188' ' ' LEU . 2.6 mp -52.57 -43.69 65.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 71.21 110.882 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.704 HD11 ' CB ' ' A' ' 143' ' ' SER . 2.3 tm? -67.35 -42.08 84.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.918 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 13.2 mm -58.18 -57.56 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 61.25 111.131 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.596 HD13 ' CH2' ' A' ' 207' ' ' TRP . 1.1 pp -58.05 -43.39 86.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 64.33 110.914 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.708 HD21 ' C ' ' A' ' 181' ' ' SER . 2.0 mp -51.96 -61.29 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 71.42 110.9 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 209' ' ' VAL . 2.6 ptm180 -60.06 -33.22 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.841 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 23.1 tp -64.32 -46.82 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . 0.596 ' CH2' HD13 ' A' ' 203' ' ' LEU . 42.2 m0 -62.88 -53.21 57.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 72.15 110.952 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.541 ' HB2' HD21 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -55.76 -61.72 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 64.13 110.867 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' VAL . . . . . 0.486 HG12 HD13 ' A' ' 213' ' ' ILE . 91.7 t -51.54 -63.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 53.4 111.106 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -47.88 -44.57 29.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.54 111.1 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -56.78 -53.08 61.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.887 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 46.7 mm -56.3 -63.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 74.13 111.151 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . 0.486 HD13 HG12 ' A' ' 209' ' ' VAL . 3.5 mp -51.27 -59.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 65.23 111.095 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -50.64 -33.15 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 72.12 110.879 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -69.7 -45.39 58.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 75.05 112.476 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 220' ' ' VAL . 0.4 OUTLIER -65.15 -33.91 66.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 60.12 111.131 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 34.8 mm -72.02 -53.44 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.41 111.136 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.13 -31.66 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 61.41 111.124 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . 0.716 ' O ' HG22 ' A' ' 222' ' ' THR . 4.3 t -76.22 -36.1 58.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.881 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 216' ' ' ILE . 24.2 t -73.86 -29.52 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 52.03 111.09 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -54.44 -33.69 60.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.894 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . 0.716 HG22 ' O ' ' A' ' 219' ' ' SER . 2.9 t -72.73 -24.52 60.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 72.44 111.147 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.57 -84.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 72.05 110.824 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.44 160.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.855 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -107.03 -34.83 7.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.901 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.864 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.865 0.364 . . . . 73.44 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -110.96 85.01 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 64.31 110.846 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -107.66 155.04 20.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.862 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.49 48.42 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.856 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 58.34 75.4 0.53 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 64.34 111.093 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 174.28 9.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 74.44 112.33 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 pp -158.33 -38.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.919 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.95 -35.37 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 64.2 110.849 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.755 ' CE2' HD11 ' A' ' 92' ' ' LEU . 26.2 t80 -71.63 -58.39 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.904 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.805 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -53.0 -37.06 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 64.44 110.865 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.16 96.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 71.22 112.52 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.4 ttp -65.27 -38.9 91.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 72.54 110.867 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.805 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.6 mt -65.37 -54.45 28.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.927 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -59.83 -41.75 92.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.918 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -68.12 -36.23 79.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 72.32 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.72 -54.83 25.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.952 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -47.01 86.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.54 110.918 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 t -60.43 -38.42 84.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.871 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.6 t -66.01 -57.42 7.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 54.3 110.875 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.425 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -58.52 -37.9 76.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.3 110.912 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -68.86 -36.22 77.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.912 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.612 ' O ' HD12 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -52.07 -57.38 9.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.866 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -51.78 -40.38 60.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.897 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 99' ' ' HIS . 48.6 t -61.67 -47.18 94.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 62.13 111.128 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.2 mt -60.65 -56.53 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.11 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.632 ' CG1' HD11 ' A' ' 216' ' ' ILE . 3.8 mt -51.8 -56.77 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 65.03 111.128 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 110' ' ' VAL . 51.8 mt -58.18 -39.88 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 71.12 111.151 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 40.6 t -65.01 -33.74 76.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 51.04 110.863 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 108' ' ' LEU . 7.2 tt -71.34 -52.33 19.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.904 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.5 m -60.19 -39.23 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.41 111.091 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 106' ' ' ILE . 71.5 t -72.64 -45.44 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 64.31 111.131 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -55.91 -49.91 72.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.933 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.48 -48.48 64.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.864 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.03 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 22.43 111.117 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.73 -40.83 75.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 73.33 110.89 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 111' ' ' LEU . 1.7 mm? -58.29 -55.48 34.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 73.24 110.949 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.53 -53.37 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 62.4 111.112 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.1 tp -51.82 -55.31 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 64.21 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.55 -48.92 76.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.1 111.092 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -35.72 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 70.35 110.868 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.98 -56.64 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.882 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.8 pt -60.03 -33.99 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 62.12 111.136 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.25 -51.04 41.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 62.24 110.909 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -57.87 -44.52 86.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.86 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.82 -35.87 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -54.76 -35.7 64.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.935 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.697 HG22 HG13 ' A' ' 127' ' ' ILE . 47.9 mm -51.43 -75.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 73.45 111.148 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.697 HG13 HG22 ' A' ' 126' ' ' ILE . 40.8 mt -137.2 -41.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 54.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.665 ' HG3' HG22 ' A' ' 127' ' ' ILE . 0.4 OUTLIER -175.56 158.85 2.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.727 . . . . 73.01 110.894 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 75.1 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 53.51 112.34 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.29 88.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 54.31 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.556 ' HE3' HD21 ' A' ' 198' ' ' LEU . 2.4 mtmt -70.9 -74.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 65.35 110.905 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 51.28 62.71 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 62.54 110.861 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.589 ' N ' HD21 ' A' ' 189' ' ' LEU . 0.1 OUTLIER 179.58 -165.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 54.21 110.886 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -46.49 -47.25 19.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.51 110.951 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.76 -41.99 71.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 72.32 111.093 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.743 ' HB1' HD11 ' A' ' 189' ' ' LEU . . . -65.76 -50.56 64.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 52.12 111.122 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.5 ttp -51.79 -53.92 34.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.876 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.76 -45.18 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 53.45 111.14 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.33 -48.64 78.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 64.2 110.914 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -61.89 -50.72 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.13 110.877 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -46.32 64.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.938 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.9 ttp -65.04 -42.18 94.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.2 110.85 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 t -60.8 -50.86 71.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 71.43 110.912 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.3 mm -60.45 -52.38 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 72.45 111.091 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 62.6 m -51.54 -51.86 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.115 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 42.9 mt -63.2 -34.99 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 73.52 111.142 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.812 HD11 ' HG2' ' A' ' 208' ' ' ARG . 0.7 OUTLIER -60.13 -62.49 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 71.32 110.873 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.05 -35.42 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 34.13 111.138 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -64.09 -51.2 65.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.828 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.37 -46.23 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.868 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 0.42 ' CG ' HD11 ' A' ' 212' ' ' ILE . 0.0 OUTLIER -56.97 -59.64 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.881 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -36.15 68.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.7 -53.54 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.834 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.57 -55.37 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 73.43 111.122 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 44.2 mm -53.0 -38.69 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 64.14 111.183 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -70.6 -55.46 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.916 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -52.15 -41.41 62.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 54.34 110.902 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -36.64 61.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 60.23 110.914 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 11.8 t80 58.24 87.72 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 61.44 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.4 p -143.73 131.26 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 72.01 111.115 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.92 -171.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.858 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.44 157.46 30.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 74.23 110.896 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 8.6 mt -127.0 77.04 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 43.44 110.865 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -63.6 -177.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 72.24 110.875 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -58.44 -40.71 83.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 73.44 110.876 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.02 136.72 46.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 74.33 110.881 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -114.89 147.45 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 74.04 110.887 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -71.98 160.33 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 72.15 110.857 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -60.54 -38.51 84.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 62.23 110.857 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -43.34 82.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.22 110.861 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -53.01 -36.1 60.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 73.21 110.891 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 31.7 mm -79.27 -35.56 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 71.21 111.126 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.764 ' O ' HG23 ' A' ' 177' ' ' VAL . 4.3 tt -52.99 -57.25 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 63.43 110.916 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.587 ' N ' HD23 ' A' ' 173' ' ' LEU . 1.4 p30 -49.79 -45.5 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 73.41 110.864 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.605 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -51.81 -56.35 14.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 73.13 111.114 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 180' ' ' VAL . 21.9 t -57.29 -41.01 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.125 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 173' ' ' LEU . 21.9 t -56.04 -64.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 62.31 111.111 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 31.2 m -54.39 -33.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 73.02 111.127 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 175' ' ' ALA . 41.7 t -66.17 -44.4 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 73.02 111.104 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 176' ' ' VAL . 98.6 t -64.04 -44.78 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 53.34 111.117 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 70.8 m -61.88 -53.14 59.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 35.04 110.882 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -56.46 -58.96 5.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 65.14 110.884 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 187' ' ' VAL . 78.5 mt -52.73 -50.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.51 111.111 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 1.044 HD23 HD11 ' A' ' 200' ' ' LEU . 31.4 tp -56.14 -35.29 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 64.23 110.932 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.29 -57.78 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.851 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.0 pt -61.5 -40.02 84.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 75.2 111.156 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 183' ' ' ILE . 52.8 t -59.27 -54.78 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 74.53 111.151 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 184' ' ' LEU . 3.9 mm? -61.74 -33.96 74.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 75.21 110.931 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.743 HD11 ' HB1' ' A' ' 136' ' ' ALA . 0.4 OUTLIER -62.2 -46.92 86.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 62.44 110.884 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -91.4 13.46 17.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.932 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -110.61 -74.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 75.14 110.892 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -26.3 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 62.21 110.891 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 1.4 t60 64.81 34.56 9.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.844 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -119.12 175.5 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.877 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -54.46 -25.76 27.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.35 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -46.39 -35.98 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.902 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.47 67.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 43.31 111.079 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.556 HD21 ' HE3' ' A' ' 131' ' ' LYS . 7.2 mp -59.56 -35.21 73.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 63.44 110.889 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -48.16 -37.1 16.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 25.14 112.465 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 1.044 HD11 HD23 ' A' ' 184' ' ' LEU . 4.3 mm? -61.0 -44.65 97.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 75.01 110.919 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -35.9 82.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 65.21 110.926 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 10.1 mm -64.78 -58.84 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 71.12 111.135 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.613 HD12 ' N ' ' A' ' 204' ' ' LEU . 3.3 pp -55.61 -35.52 65.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 53.14 110.885 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 203' ' ' LEU . 0.5 OUTLIER -64.72 -54.75 26.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.909 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -58.49 -39.71 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 72.01 110.909 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.29 -35.84 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.883 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . 0.416 ' CE3' HD23 ' A' ' 204' ' ' LEU . 0.9 OUTLIER -71.62 -51.87 20.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 71.3 110.889 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.812 ' HG2' HD11 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -60.64 -46.9 88.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 73.05 110.863 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' VAL . . . . . 0.416 ' O ' ' HB ' ' A' ' 213' ' ' ILE . 6.0 p -64.9 -36.98 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 73.31 111.117 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -61.5 -56.96 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.3 111.124 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -63.65 -51.88 63.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.44 110.901 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . 0.42 HD11 ' CG ' ' A' ' 151' ' ' MET . 19.5 mm -51.23 -68.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 75.13 111.12 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 209' ' ' VAL . 1.7 mp -49.73 -39.79 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.41 111.151 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -63.82 -37.03 85.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 63.34 110.896 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.05 -44.94 59.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 53.23 112.498 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.632 HD11 ' CG1' ' A' ' 105' ' ' ILE . 5.9 tt -68.5 -36.01 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 65.31 111.129 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 218' ' ' ILE . 1.1 mp -68.84 -47.96 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 71.04 111.118 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.405 ' N ' HG22 ' A' ' 217' ' ' ILE . 10.7 tt -66.47 -33.67 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 64.04 111.136 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.2 p -77.1 -32.29 56.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 72.24 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 216' ' ' ILE . 19.9 t -78.83 -39.33 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 72.32 111.106 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -72.14 -35.97 69.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.901 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 10.3 t -72.48 -29.69 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.22 111.167 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.02 28.39 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 72.32 110.85 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.3 t -143.88 -170.07 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 62.24 110.887 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -34.52 60.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.871 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.86 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.0 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.919 0.39 . . . . 73.41 110.836 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -65.85 170.14 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.8 mmt -108.17 -74.23 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.909 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.09 46.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.15 110.881 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 85' ' ' PRO . . . 63.67 160.45 0.12 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 62.23 111.116 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 84' ' ' ALA . 53.0 Cg_endo -69.83 172.15 13.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 72.25 112.314 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 87' ' ' ASP . 3.5 pp -147.72 -40.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 53.22 110.943 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.423 ' N ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -90.27 -38.93 13.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 42.31 110.852 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.759 ' CE2' HD11 ' A' ' 92' ' ' LEU . 27.3 t80 -71.81 -58.35 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.906 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.803 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.59 -40.16 62.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.15 110.856 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.63 -39.98 98.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.664 -0.779 . . . . 75.34 112.475 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.5 ttm -67.12 -39.92 86.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 72.11 110.859 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.803 HD12 ' HA ' ' A' ' 89' ' ' ARG . 6.4 mt -64.09 -53.03 56.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.939 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -60.39 -45.1 94.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.869 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -65.75 -35.8 81.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.902 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mt -64.61 -57.57 8.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 62.03 110.932 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -58.65 -50.61 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.5 t -56.94 -43.14 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 60.43 110.887 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 m -61.4 -47.13 87.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 75.31 110.876 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -65.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.869 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 72.26 -68.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.832 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -52.2 -60.98 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.938 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.615 ' HA ' HD12 ' A' ' 105' ' ' ILE . 9.1 tt0 -51.94 -46.47 64.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.972 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.9 t -52.74 -47.91 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 72.4 111.176 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 53.2 mt -63.39 -44.27 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 74.34 111.137 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 109' ' ' VAL . 48.3 mt -56.01 -63.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.42 111.167 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 110' ' ' VAL . 3.1 tt -58.24 -35.56 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.03 111.115 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.474 ' O ' HD23 ' A' ' 111' ' ' LEU . 38.2 t -56.68 -57.15 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 65.35 110.875 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.73 HD13 ' CZ ' ' A' ' 150' ' ' PHE . 8.3 tp -62.7 -48.54 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 73.43 110.936 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 105' ' ' ILE . 88.8 t -52.23 -56.4 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.33 111.128 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 106' ' ' ILE . 95.7 t -60.73 -38.63 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 73.51 111.082 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.7 mm? -60.83 -52.43 65.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 55.31 110.918 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.67 -55.29 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.896 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.85 -49.99 67.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 54.31 111.081 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.489 HD12 HG12 ' A' ' 110' ' ' VAL . 45.4 mt -63.08 -35.63 80.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 72.24 110.938 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 111' ' ' LEU . 1.1 mm? -61.27 -59.65 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 75.01 110.915 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.7 p -59.98 -38.76 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 50.14 111.139 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.67 -55.4 23.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 71.01 110.973 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.28 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.124 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -51.55 68.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.847 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 -56.63 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.912 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.451 HD13 ' O ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -60.06 -29.48 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 72.43 111.149 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.421 ' O ' HD13 ' A' ' 126' ' ' ILE . 7.6 mt -69.47 -56.92 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 73.14 110.907 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.32 -36.0 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.858 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.22 -30.8 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 52.4 110.908 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.43 -35.39 65.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.937 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.1 OUTLIER -120.04 45.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.22 111.156 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.3 mt -50.1 -34.21 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.11 111.122 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -53.12 153.56 6.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 61.44 110.922 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -171.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.274 . . . . 75.12 112.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.24 -43.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 63.04 110.877 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt 61.75 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 64.51 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.99 91.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.929 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.84 -174.24 4.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.955 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -35.71 73.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 64.33 110.928 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.69 -53.9 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 15.24 111.095 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.61 ' HB1' HD21 ' A' ' 189' ' ' LEU . . . -67.78 -34.59 77.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 63.13 111.155 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.81 -52.7 59.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 60.41 110.867 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.3 -32.42 57.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 74.33 111.127 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -51.4 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.909 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -42.85 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 71.4 110.853 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.39 -44.81 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.909 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.573 ' O ' HG22 ' A' ' 146' ' ' ILE . 1.0 OUTLIER -67.43 -36.53 81.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 72.13 110.858 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.677 ' CB ' HD11 ' A' ' 201' ' ' LEU . 12.1 t -66.46 -56.98 8.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.858 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 145' ' ' THR . 2.6 pp -61.93 -34.71 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 63.11 111.133 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.47 ' N ' HD12 ' A' ' 144' ' ' ILE . 15.9 m -65.65 -65.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.25 111.177 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 142' ' ' MET . 1.4 tp -55.57 -33.47 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.112 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.751 HD22 ' CG ' ' A' ' 208' ' ' ARG . 16.4 mt -64.43 -64.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 43.34 110.91 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.88 -45.85 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 71.11 111.121 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -53.32 -53.41 51.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 74.24 110.884 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.73 ' CZ ' HD13 ' A' ' 108' ' ' LEU . 36.3 t80 -58.37 -55.43 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 73.32 110.845 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 0.647 ' SD ' HD13 ' A' ' 212' ' ' ILE . 32.7 tpp -51.93 -58.45 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.855 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -39.95 60.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 65.22 110.885 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -61.39 -49.23 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 73.45 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.1 mm -59.83 -59.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 70.24 111.139 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 18.8 tt -54.68 -34.54 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 70.12 111.097 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.59 -58.81 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 60.21 110.908 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -38.37 69.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 64.04 110.88 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.93 118.26 16.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.55 110.915 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -74.68 175.03 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 75.1 110.903 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 10.1 m -152.29 45.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 62.25 111.142 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -56.97 161.52 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.884 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -119.66 -68.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 54.51 110.859 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.8 tt -178.63 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 64.14 110.942 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.13 118.55 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 73.21 110.934 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -37.02 55.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 72.31 110.858 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -104.4 -70.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 73.02 110.873 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . 0.706 ' CG ' HD11 ' A' ' 172' ' ' ILE . 0.5 OUTLIER -178.6 170.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 73.5 110.854 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -123.97 149.34 46.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.873 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -35.98 63.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 74.02 110.883 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -52.19 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 73.34 110.838 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -51.11 24.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.891 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.706 HD11 ' CG ' ' A' ' 167' ' ' HIS . 57.4 mt -51.94 -35.19 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 71.22 111.152 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.556 HD23 ' N ' ' A' ' 174' ' ' ASP . 1.5 tt -52.06 -48.73 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.927 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.739 ' O ' HG23 ' A' ' 178' ' ' VAL . 4.7 t70 -50.39 -52.2 39.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 71.23 110.85 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.3 -53.37 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.09 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 180' ' ' VAL . 96.7 t -55.32 -57.28 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.24 111.086 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 99.0 t -50.69 -37.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 74.03 111.164 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 174' ' ' ASP . 92.8 t -64.23 -63.46 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 63.23 111.143 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 183' ' ' ILE . 4.6 p -55.65 -39.25 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.16 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 176' ' ' VAL . 66.6 t -60.89 -46.88 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 72.1 111.174 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.439 ' CB ' HD11 ' A' ' 204' ' ' LEU . 0.1 OUTLIER -68.57 -41.46 79.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.853 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -55.34 -60.49 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.885 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 179' ' ' VAL . 3.5 tt -60.0 -45.32 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 74.31 111.09 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.423 ' N ' HG23 ' A' ' 183' ' ' ILE . 34.0 tp -58.61 -39.22 79.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 62.54 110.908 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . 0.474 ' OD1' HD23 ' A' ' 201' ' ' LEU . 2.3 t70 -63.93 -56.8 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 62.5 110.847 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.9 pt -61.07 -40.0 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 75.43 111.151 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 183' ' ' ILE . 24.3 t -58.4 -54.04 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.23 111.11 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -30.59 70.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 71.31 110.887 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.61 HD21 ' HB1' ' A' ' 136' ' ' ALA . 1.9 tm? -61.04 -49.71 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.935 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -80.75 -37.51 30.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.918 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -51.87 106.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 60.32 110.958 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 59.3 172.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 73.25 110.849 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -88.87 48.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 61.32 110.826 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -94.56 89.35 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.6 -30.58 21.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 72.43 110.851 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -50.01 -31.24 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.846 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -48.8 -32.94 9.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 62.04 111.089 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 1.5 mp -48.29 -34.68 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.914 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . 0.679 ' HA2' HD12 ' A' ' 202' ' ' ILE . . . -50.05 -36.54 28.09 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.761 -0.733 . . . . 74.32 112.5 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.506 ' HA ' HD21 ' A' ' 203' ' ' LEU . 4.5 mm? -57.23 -44.65 83.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 75.23 110.961 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.677 HD11 ' CB ' ' A' ' 143' ' ' SER . 2.9 tm? -66.99 -44.02 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 51.44 110.924 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ILE . . . . . 0.679 HD12 ' HA2' ' A' ' 199' ' ' GLY . 7.8 mt -55.07 -58.26 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 72.43 111.153 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 204' ' ' LEU . 2.4 pp -58.68 -42.28 88.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 42.31 110.901 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 203' ' ' LEU . 0.0 OUTLIER -49.97 -60.63 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.951 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' ARG . . . . . 0.602 ' O ' HG12 ' A' ' 209' ' ' VAL . 14.5 ptm180 -63.0 -32.0 73.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 73.01 110.825 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 7.3 tt -56.6 -68.03 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 63.11 110.919 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -63.13 -33.07 74.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.916 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.751 ' CG ' HD22 ' A' ' 147' ' ' LEU . 15.1 tpt180 -62.45 -68.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.866 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' VAL . . . . . 0.732 HG22 ' CD1' ' A' ' 213' ' ' ILE . 8.4 p -56.6 -34.68 42.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 53.54 111.153 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -67.32 -36.4 81.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 74.31 111.108 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -55.08 10.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 54.12 110.88 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . 0.647 HD13 ' SD ' ' A' ' 151' ' ' MET . 5.4 tp -56.54 -44.98 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.3 111.116 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . 0.732 ' CD1' HG22 ' A' ' 209' ' ' VAL . 78.0 mt -64.11 -60.29 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 73.42 111.169 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . 0.631 ' O ' HG23 ' A' ' 218' ' ' ILE . 11.0 t30 -51.94 -29.71 21.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.53 110.909 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -70.72 -54.32 10.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 70.31 112.496 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.0 tt -59.55 -33.86 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 64.02 111.116 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' ILE . . . . . 0.529 HG22 ' HE3' ' A' ' 221' ' ' LYS . 7.8 mm -68.58 -57.46 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.22 111.136 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 214' ' ' ASN . 29.4 pt -59.87 -29.53 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 72.12 111.17 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 58.3 m -76.49 -35.78 58.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 75.02 110.873 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 216' ' ' ILE . 42.4 t -77.45 -38.31 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 40.32 111.105 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' LYS . . . . . 0.529 ' HE3' HG22 ' A' ' 217' ' ' ILE . 7.8 ptpt -71.69 -36.81 70.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.52 110.899 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 9.9 t -72.78 -29.6 63.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.12 111.123 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 29.08 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.866 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 7.7 t -142.64 -169.94 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.826 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -35.08 75.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 62.32 110.878 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 65.43 110.878 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.897 0.379 . . . . 64.41 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -117.31 56.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 61.13 110.879 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -131.34 -176.54 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 71.53 110.911 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -121.74 36.4 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 72.35 110.873 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 85' ' ' PRO . . . 63.47 160.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 64.41 111.102 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 84' ' ' ALA . 53.9 Cg_endo -69.77 156.25 63.81 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.635 2.223 . . . . 70.43 112.389 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.4 mt -128.9 -67.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.925 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.11 -33.58 70.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 65.03 110.855 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 92' ' ' LEU . 23.0 t80 -71.73 -58.95 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 64.22 110.89 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -60.56 -25.36 66.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.877 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.91 -43.95 39.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 54.5 112.498 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 57.4 ttp -70.25 -38.86 75.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 72.11 110.832 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 88' ' ' PHE . 4.6 mt -69.07 -50.14 51.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 74.33 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -62.9 -44.72 95.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 65.02 110.878 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -38.74 89.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 70.55 110.898 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.67 -61.06 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.895 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.619 ' CE2' HG11 ' A' ' 103' ' ' VAL . 47.6 t80 -55.6 -48.28 75.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 75.2 110.891 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 t -59.47 -50.71 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 74.42 110.865 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.3 t -52.51 -52.61 53.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 70.14 110.832 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.451 ' CB ' HG23 ' A' ' 103' ' ' VAL . 15.0 m170 -67.47 -72.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 75.52 110.873 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 69.05 -75.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.904 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -62.16 -55.92 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 105' ' ' ILE . 5.5 tp60 -51.92 -45.77 64.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 72.11 110.933 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.619 HG11 ' CE2' ' A' ' 96' ' ' PHE . 64.7 t -59.73 -51.93 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.52 111.138 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.2 mt -57.94 -45.64 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 61.1 111.172 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.701 ' O ' HG23 ' A' ' 109' ' ' VAL . 9.7 mt -58.24 -64.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 64.45 111.132 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.2 mm -51.61 -55.91 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 74.51 111.107 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.2 m -51.94 -45.65 64.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.87 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.487 ' C ' HD13 ' A' ' 108' ' ' LEU . 3.1 tm? -62.47 -40.74 97.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.962 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 105' ' ' ILE . 74.3 t -60.34 -56.43 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 73.25 111.121 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.471 ' O ' HD23 ' A' ' 114' ' ' LEU . 7.5 p -64.45 -37.32 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 65.43 111.166 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.4 mt -65.05 -64.35 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 70.3 110.908 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 116' ' ' VAL . 35.8 t70 -53.26 -45.96 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 61.34 110.826 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.21 75.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 61.11 111.078 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 110' ' ' VAL . 2.5 mm? -59.9 -49.89 75.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.948 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.01 -59.77 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 34.25 110.867 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.583 HG22 ' NH1' ' A' ' 205' ' ' ARG . 66.8 t -52.68 -56.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 61.13 111.137 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.9 tp -54.16 -51.04 65.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.952 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.75 -52.71 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 73.31 111.093 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -63.42 -35.33 80.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 70.03 110.904 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.5 tp -63.82 -56.33 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 64.02 110.898 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 pt -63.05 -33.18 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 71.54 111.147 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -56.79 13.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 70.13 110.924 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.98 -34.98 77.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 72.43 110.845 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.16 -32.5 71.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 65.32 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -86.13 -32.94 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 63.33 110.869 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 4.1 mp 61.31 95.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.13 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 36.8 mm -68.1 -29.28 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 70.13 111.136 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -149.66 152.85 35.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 73.53 110.923 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 79.06 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.678 2.252 . . . . 74.44 112.335 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -175.62 122.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.866 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -149.42 -169.22 3.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 64.44 110.953 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 51.43 43.61 29.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 63.31 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.88 -75.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 70.14 110.898 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -76.39 -60.49 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 70.33 110.961 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.38 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 40.44 111.08 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.25 71.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.15 111.043 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -54.18 49.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 64.41 110.85 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 70.3 t -50.41 -56.19 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.44 111.115 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -56.98 -38.8 73.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.436 ' HA ' HD21 ' A' ' 201' ' ' LEU . 3.4 t-80 -64.16 -53.88 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 75.51 110.86 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 145' ' ' THR . 3.3 m-30 -55.49 -39.71 70.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.02 110.929 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.7 ttt -68.38 -37.86 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 51.34 110.906 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.4 t -69.37 -46.77 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.42 110.832 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 148' ' ' VAL . 8.0 tp -65.79 -34.7 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 54.24 111.156 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 141' ' ' TYR . 11.7 p -68.43 -52.94 27.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.22 111.123 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.3 tp -64.18 -34.24 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.2 111.129 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.613 HD11 ' HA ' ' A' ' 205' ' ' ARG . 11.8 mt -67.39 -59.96 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.916 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 144' ' ' ILE . 61.3 t -59.69 -40.27 81.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.11 111.149 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -60.05 -52.43 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.928 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.554 ' CD2' HG21 ' A' ' 212' ' ' ILE . 3.9 t80 -57.46 -55.52 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.32 110.894 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.35 -55.33 32.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 65.41 110.877 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 1.1 mmt -52.06 -41.95 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 63.45 110.861 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.13 -50.67 72.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.606 HD13 ' HB3' ' A' ' 158' ' ' LEU . 41.5 mm -56.59 -59.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 61.5 111.09 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 171' ' ' GLU . 0.5 OUTLIER -57.52 -34.9 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 65.04 111.139 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.03 -62.66 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 52.15 110.889 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -177.04 51.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 71.35 110.941 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' A' ' 154' ' ' ILE . 0.1 OUTLIER -136.3 33.39 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 73.24 110.864 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -132.41 -169.61 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 60.35 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.46 146.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 63.43 111.148 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 63.39 165.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.875 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.01 71.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 64.21 110.891 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.8 mt -148.16 119.56 7.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.903 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -53.47 111.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 64.2 110.867 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -40.27 61.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 73.25 110.864 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.2 -170.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.88 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -59.29 135.79 57.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 73.35 110.852 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.611 ' O ' HG22 ' A' ' 172' ' ' ILE . 0.2 OUTLIER -155.68 161.29 40.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 63.43 110.85 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -54.66 -47.36 73.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.15 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -78.11 -36.0 48.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 74.52 110.906 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.576 ' HB2' HD11 ' A' ' 155' ' ' ILE . 11.0 tm-20 -57.74 -55.79 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 63.51 110.818 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.611 HG22 ' O ' ' A' ' 168' ' ' HIS . 0.6 OUTLIER -61.78 -35.24 66.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.41 111.159 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.548 ' O ' HG23 ' A' ' 177' ' ' VAL . 1.8 tt -58.66 -42.74 89.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 64.23 110.895 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.563 ' O ' HG23 ' A' ' 178' ' ' VAL . 82.8 m-20 -50.58 -51.02 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.894 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.754 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -55.68 -56.23 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 62.3 111.094 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 42.0 t -53.18 -52.61 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.11 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 173' ' ' LEU . 93.4 t -50.95 -47.57 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.42 111.087 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 174' ' ' ASP . 99.6 t -64.09 -34.0 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.157 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 175' ' ' ALA . 67.8 t -65.87 -47.36 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.34 111.128 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.57 -41.35 85.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 65.31 111.182 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.54 ' C ' HD21 ' A' ' 204' ' ' LEU . 5.4 p -68.15 -48.27 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.846 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . 0.529 ' CE1' HD13 ' A' ' 186' ' ' ILE . 35.0 t80 -61.13 -50.1 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.891 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 187' ' ' VAL . 94.0 mt -61.1 -46.84 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.21 111.195 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.7 -39.96 74.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 70.41 110.884 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . 0.594 ' HA ' HD22 ' A' ' 200' ' ' LEU . 66.0 t0 -65.0 -57.44 8.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 71.32 110.842 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.529 HD13 ' CE1' ' A' ' 182' ' ' PHE . 25.8 pt -59.72 -36.6 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 63.14 111.161 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 183' ' ' ILE . 23.5 t -62.37 -54.46 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 73.21 111.117 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.407 HD22 HD11 ' A' ' 200' ' ' LEU . 0.2 OUTLIER -63.92 -28.76 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 64.51 110.951 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' A' ' 197' ' ' ALA . 18.1 tp -66.19 -49.8 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 60.01 110.87 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -77.38 -34.89 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.85 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -90.1 -166.62 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 71.03 110.924 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 68.22 -80.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 74.31 110.917 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.67 34.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.877 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 58.16 174.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 63.12 110.914 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 2.9 t80 59.44 171.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 73.22 110.81 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 51.06 35.01 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 73.54 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.68 ' HB3' HD13 ' A' ' 189' ' ' LEU . . . -113.31 -33.72 5.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 61.53 111.115 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.601 HD22 ' H ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -49.16 -35.75 17.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.943 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -50.01 -50.51 32.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 62.51 112.507 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.594 HD22 ' HA ' ' A' ' 185' ' ' ASP . 0.3 OUTLIER -51.77 -43.19 62.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 64.31 110.938 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' ' 140' ' ' HIS . 12.3 tp -63.27 -41.8 99.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.943 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 198' ' ' LEU . 1.6 mp -60.79 -62.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.194 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 200' ' ' LEU . 0.3 OUTLIER -52.23 -37.68 55.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 70.21 110.931 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 200' ' ' LEU . 3.2 mp -59.57 -56.95 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 72.32 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' ARG . . . . . 0.613 ' HA ' HD11 ' A' ' 147' ' ' LEU . 54.9 ttp180 -61.43 -37.67 84.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.881 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 26.2 mt -58.62 -47.48 84.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 54.32 110.916 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -64.17 -53.1 54.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.897 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.596 ' HB3' HD22 ' A' ' 147' ' ' LEU . 3.5 mmt-85 -58.13 -61.6 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.891 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' VAL . . . . . 0.644 ' HA ' HD12 ' A' ' 212' ' ' ILE . 82.9 t -49.09 -56.32 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 71.33 111.11 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.45 -54.69 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 22.04 111.089 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -55.8 -46.41 78.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.15 110.869 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 209' ' ' VAL . 18.2 mt -54.56 -69.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 65.41 111.169 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 213' ' ' ILE . 4.0 mp -52.83 -58.78 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 72.22 111.13 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -50.09 -28.79 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.831 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -74.28 -48.93 13.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 62.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.4 tt -67.58 -34.51 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 75.15 111.104 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 13.7 mm -72.34 -49.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 55.55 111.104 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . . . . . . . . . 7.6 tt -64.33 -32.82 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 51.1 111.136 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 8.9 t -77.57 -35.15 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 74.33 110.829 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 216' ' ' ILE . 18.6 t -77.14 -36.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 61.41 111.114 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -76.14 -36.46 58.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.54 110.938 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 7.2 t -73.18 -30.93 63.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 65.45 111.13 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -102.57 -74.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.51 110.907 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.4 p 52.86 -171.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.886 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -110.39 -34.71 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.55 110.879 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 43.24 110.876 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.0 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.932 0.396 . . . . 75.22 110.843 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -129.17 -74.02 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 74.2 110.852 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.0 88.19 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.864 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -177.86 66.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 73.21 110.845 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' A' ' 85' ' ' PRO . . . -69.79 160.45 79.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 75.2 111.113 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' A' ' 84' ' ' ALA . 53.2 Cg_endo -69.83 174.36 9.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.638 2.226 . . . . 74.22 112.332 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.404 ' C ' HD12 ' A' ' 86' ' ' LEU . 2.5 pp -158.88 -38.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.935 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.63 -35.83 20.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.819 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' A' ' 92' ' ' LEU . 26.7 t80 -71.84 -58.4 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 65.4 110.913 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.822 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -53.24 -36.73 61.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 63.23 110.85 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.34 -43.68 94.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 62.21 112.488 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.454 ' O ' HD23 ' A' ' 95' ' ' LEU . 10.2 tmm? -64.81 -38.88 92.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 73.43 110.9 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.822 HD12 ' HA ' ' A' ' 89' ' ' ARG . 5.2 mt -65.53 -53.79 37.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.14 110.909 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -58.97 -41.9 88.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 62.15 110.853 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -66.48 -37.66 85.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.953 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 91' ' ' MET . 1.4 mm? -64.39 -52.71 56.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 51.11 110.89 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.97 -38.23 90.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 51.32 110.828 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.4 m -61.38 -53.29 58.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.84 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -57.76 10.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 70.52 110.841 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.805 ' HB3' HD11 ' A' ' 104' ' ' ILE . 21.5 m170 -53.76 -36.17 62.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 75.43 110.839 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.1 mtt85 63.11 104.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 54.02 110.875 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CD1' HG12 ' A' ' 220' ' ' VAL . 15.4 m-85 -51.9 -49.49 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 63.53 110.926 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.504 ' HA ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -52.05 -57.58 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 70.14 110.934 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.63 -47.94 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 72.21 111.122 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.805 HD11 ' HB3' ' A' ' 99' ' ' HIS . 42.1 mt -56.81 -46.93 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.151 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.877 HD11 HG11 ' A' ' 220' ' ' VAL . 7.4 mt -59.18 -63.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 71.34 111.088 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 110' ' ' VAL . 25.3 pt -53.58 -33.38 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 70.22 111.136 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.83 -57.78 9.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.852 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.6 tp -61.34 -45.1 95.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.01 110.918 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 105' ' ' ILE . 97.4 t -53.48 -55.73 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.12 111.087 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 106' ' ' ILE . 99.6 t -61.8 -49.89 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 70.12 111.099 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.07 -57.81 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 71.52 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 116' ' ' VAL . 1.2 t70 -63.72 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 73.1 110.897 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.14 -52.91 60.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 61.32 111.134 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.59 -32.34 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 61.52 110.925 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 146' ' ' ILE . 0.7 OUTLIER -69.31 -56.19 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.889 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 112' ' ' ASP . 92.6 t -62.15 -44.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 64.05 111.151 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.38 -54.2 46.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.126 -0.488 . . . . 70.44 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.91 -53.27 55.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 23.01 111.103 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.71 -36.05 79.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.874 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -56.56 20.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 75.35 110.882 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.7 pt -64.76 -34.12 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.121 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -53.88 53.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 65.23 110.946 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -74.47 -36.09 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 61.33 110.856 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.97 -35.89 71.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 75.2 110.946 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -50.93 43.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 63.41 110.926 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.69 HG23 ' O ' ' A' ' 126' ' ' ILE . 6.6 tp -100.77 83.37 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 71.12 111.158 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 127' ' ' ILE . 50.3 mm -66.97 -16.52 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 74.03 111.167 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 69.0 153.68 0.14 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 72.21 110.922 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -33.19 17.06 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.264 . . . . 63.3 112.346 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -158.27 -168.15 2.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.868 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.59 -167.89 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 71.01 110.93 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 51.64 79.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 55.24 110.86 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.38 -169.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.893 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.451 ' O ' HG23 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -51.6 -36.03 43.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.985 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.33 -52.17 55.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 74.42 111.125 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.11 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 34.11 111.115 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.59 -54.24 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.886 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 134' ' ' TYR . 72.2 t -60.26 -56.13 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 51.41 111.131 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -52.63 -50.91 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 70.43 110.902 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.792 ' CE1' HD13 ' A' ' 201' ' ' LEU . 29.9 t60 -56.75 -53.13 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 53.45 110.838 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.462 ' O ' HG23 ' A' ' 145' ' ' THR . 0.2 OUTLIER -52.38 -41.9 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 73.54 110.923 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -37.6 85.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 74.24 110.914 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.602 ' CB ' HD21 ' A' ' 201' ' ' LEU . 0.6 OUTLIER -69.11 -49.99 52.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.886 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 148' ' ' VAL . 8.0 tp -62.68 -35.92 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 72.51 111.141 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 141' ' ' TYR . 13.9 p -67.41 -55.05 15.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.41 111.107 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.498 HG21 HD11 ' A' ' 115' ' ' LEU . 32.1 mm -58.15 -39.87 74.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 75.54 111.122 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 205' ' ' ARG . 26.4 tp -63.86 -56.76 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.873 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.656 HG22 HG11 ' A' ' 178' ' ' VAL . 92.9 t -59.7 -54.87 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.128 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -51.72 -54.29 29.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 60.42 110.828 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -54.17 -43.94 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 70.52 110.842 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -56.64 18.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 71.11 110.848 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -42.43 70.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 65.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -58.35 -61.38 2.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.838 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 43.0 mm -51.58 -60.2 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.128 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 43.7 mm -51.32 -44.33 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.01 111.158 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -54.36 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 70.33 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 46.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.898 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.652 HD21 HG23 ' A' ' 104' ' ' ILE . 2.4 mp 51.95 36.19 17.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 54.24 110.913 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -163.87 172.31 14.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.897 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 38.3 t -52.67 148.1 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 63.43 111.151 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -108.97 107.77 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.86 117.42 3.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.909 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.4 tt -53.59 103.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 73.23 110.874 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -122.33 137.25 54.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.892 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -53.06 -36.21 60.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.31 110.843 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -55.39 171.73 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 74.24 110.852 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -179.19 151.0 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 65.21 110.873 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -92.18 169.58 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 61.33 110.814 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -55.82 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 60.31 110.886 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -52.97 -42.66 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.12 -35.81 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.859 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 51.3 mm -51.45 -47.32 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.01 111.117 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.1 tt -54.9 -53.49 54.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 62.2 110.949 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.599 ' N ' HD23 ' A' ' 173' ' ' LEU . 1.0 OUTLIER -51.56 -47.65 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.841 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -52.91 -56.85 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.166 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.564 ' O ' HG23 ' A' ' 180' ' ' VAL . 22.1 t -57.02 -39.71 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.135 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 173' ' ' LEU . 97.3 t -56.87 -64.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 64.33 111.139 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . 0.656 HG11 HG22 ' A' ' 148' ' ' VAL . 31.6 m -55.47 -33.43 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 63.53 111.128 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 175' ' ' ALA . 41.9 t -66.1 -59.93 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.159 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 176' ' ' VAL . 60.5 t -54.62 -34.23 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 71.24 111.103 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 19.7 m -68.2 -51.28 47.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 63.03 110.852 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 186' ' ' ILE . 31.1 t80 -55.36 -51.62 66.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 71.11 110.868 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ILE . . . . . 0.49 ' O ' HG23 ' A' ' 187' ' ' VAL . 1.0 OUTLIER -62.32 -40.63 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 51.21 111.105 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.45 -53.04 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.933 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.73 -56.72 17.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.11 110.852 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 182' ' ' PHE . 18.4 pt -59.49 -34.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 65.22 111.121 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 183' ' ' ILE . 2.0 t -59.84 -53.18 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 70.44 111.136 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.404 ' N ' HG12 ' A' ' 187' ' ' VAL . 73.8 mt -65.68 -32.95 74.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.904 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 197' ' ' ALA . 1.3 tp -60.42 -50.25 74.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 70.43 110.884 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -70.91 -35.13 72.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 70.54 110.89 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -61.61 -165.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 73.42 110.916 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -92.42 25.96 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 65.45 110.893 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -95.9 44.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 74.51 110.865 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -45.14 131.63 7.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.946 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 7.6 t80 63.66 35.5 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.05 110.893 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.66 30.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.905 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.466 ' HB3' HD12 ' A' ' 189' ' ' LEU . . . -118.72 -48.33 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 73.12 111.071 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 15.0 mt -51.2 -34.76 33.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 65.32 110.899 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -48.83 -44.95 31.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 44.4 112.534 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.557 ' HA ' HD21 ' A' ' 203' ' ' LEU . 4.5 mm? -49.37 -45.09 45.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 71.2 110.948 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.792 HD13 ' CE1' ' A' ' 140' ' ' HIS . 9.6 tp -67.51 -43.18 81.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 53.41 110.942 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 14.9 mm -56.66 -58.28 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.118 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 200' ' ' LEU . 0.9 OUTLIER -56.55 -45.55 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 54.13 110.909 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.725 HD13 ' HE1' ' A' ' 207' ' ' TRP . 0.8 OUTLIER -50.6 -60.71 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 62.34 110.923 179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 209' ' ' VAL . 0.0 OUTLIER -61.95 -34.29 75.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.897 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 26.0 tp -55.94 -70.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . 0.725 ' HE1' HD13 ' A' ' 204' ' ' LEU . 11.2 p-90 -59.31 -32.56 70.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 64.54 110.885 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -61.41 -75.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 74.23 110.834 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 205' ' ' ARG . 19.5 m -51.9 -33.05 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 71.21 111.113 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -59.84 -69.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 74.23 111.086 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -41.6 59.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.888 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 31.5 mm -60.15 -74.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 62.33 111.12 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 209' ' ' VAL . 4.4 mt -50.43 -59.46 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 62.02 111.115 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -50.6 -36.8 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 63.23 110.91 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -65.28 -42.95 95.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.796 -0.716 . . . . 41.43 112.457 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.586 ' O ' HG13 ' A' ' 220' ' ' VAL . 0.4 OUTLIER -67.79 -32.98 58.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 75.24 111.102 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' ILE . . . . . 0.403 HG22 ' HE2' ' A' ' 221' ' ' LYS . 36.7 mm -71.56 -41.22 72.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 62.21 111.14 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.409 ' HA ' ' HG2' ' A' ' 221' ' ' LYS . 19.9 tt -74.25 -27.93 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 60.13 111.119 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 28.4 t -77.13 -35.84 55.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.863 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' VAL . . . . . 0.877 HG11 HD11 ' A' ' 105' ' ' ILE . 35.8 m -78.57 -39.46 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 61.22 111.1 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' LYS . . . . . 0.409 ' HG2' ' HA ' ' A' ' 218' ' ' ILE . 6.9 ptpt -69.83 -36.72 75.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 64.54 110.901 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 7.5 t -74.32 -30.94 62.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 70.44 111.168 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.48 135.15 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.832 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 1.1 t 179.41 157.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 62.54 110.859 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -82.93 -35.03 26.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 44.24 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.13 110.826 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.954 0.406 . . . . 72.33 110.8 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -119.17 61.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 73.42 110.86 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.24 -49.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.52 110.886 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.42 46.25 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 54.35 110.87 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 85' ' ' PRO . . . -90.25 160.4 39.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.555 0.693 . . . . 64.14 111.087 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 84' ' ' ALA . 54.5 Cg_endo -69.71 136.86 34.2 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 41.2 112.373 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 mt -121.45 -69.94 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 61.22 110.915 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.44 -45.42 76.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 70.22 110.858 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.651 ' CE1' HD23 ' A' ' 92' ' ' LEU . 5.6 t80 -56.19 -48.0 77.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 73.42 110.845 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.554 ' HA ' HD21 ' A' ' 92' ' ' LEU . 6.7 mpt_? -59.21 -29.55 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.864 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.25 -51.2 7.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 44.11 112.498 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.6 ptm -57.47 -42.57 82.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 51.31 110.861 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 93' ' ' ARG . 4.7 pp -74.16 -35.73 64.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 74.41 110.889 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.666 ' N ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -60.0 -47.16 86.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.832 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -34.32 57.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.23 -50.26 73.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.669 ' CD2' HD21 ' A' ' 158' ' ' LEU . 0.2 OUTLIER -76.06 -49.18 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.892 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.0 t -52.3 -36.17 52.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.855 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -86.82 -35.73 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 22.41 110.852 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -56.85 -63.3 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 72.45 110.895 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -163.39 68.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.563 ' HA ' HD12 ' A' ' 104' ' ' ILE . 73.8 t80 -54.6 -45.74 73.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.878 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -55.9 -56.14 24.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 64.11 110.935 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.5 t -52.03 -46.9 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 63.4 111.139 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.587 HD11 ' HD1' ' A' ' 96' ' ' PHE . 33.1 mt -55.59 -60.84 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.21 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.9 mm -53.01 -59.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 73.3 111.164 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.6 mm -51.5 -36.37 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 63.21 111.157 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.401 ' HA ' HG12 ' A' ' 110' ' ' VAL . 3.6 m -69.89 -34.35 73.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 61.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.65 -48.01 50.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 61.1 110.935 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 110' ' ' VAL . 19.5 m -63.36 -42.94 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 54.14 111.118 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.431 ' N ' HG23 ' A' ' 109' ' ' VAL . 8.8 p -70.29 -33.5 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 53.31 111.142 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.406 HD22 ' CG2' ' A' ' 146' ' ' ILE . 11.6 mt -66.22 -55.75 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.926 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.48 ' O ' HG23 ' A' ' 116' ' ' VAL . 1.2 m-20 -63.57 -41.31 98.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.87 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.38 89.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 61.35 111.112 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 110' ' ' VAL . 3.0 mm? -63.74 -47.08 82.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.93 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.83 -59.77 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.932 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 112' ' ' ASP . 85.2 t -52.57 -56.02 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 65.24 111.149 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.2 tt -53.82 -47.33 70.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 73.11 110.932 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.2 -47.51 68.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 63.12 111.123 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -62.77 -43.6 98.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.72 -56.62 18.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 73.3 110.942 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.3 pt -63.1 -33.48 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.13 111.111 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.31 -54.66 44.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.921 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -66.75 -47.72 71.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.24 110.881 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.2 mp -57.52 -31.32 65.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 54.41 110.943 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.502 ' HB3' HD12 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -69.51 -50.64 43.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.862 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.702 HG23 ' OE1' ' A' ' 128' ' ' GLN . 3.1 mp -132.93 95.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.197 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.99 -14.1 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.02 111.113 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.702 ' OE1' HG23 ' A' ' 126' ' ' ILE . 4.8 mp0 -60.05 153.75 54.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 62.04 110.89 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 78.82 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.688 2.259 . . . . 71.45 112.326 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -129.69 61.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.876 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 135' ' ' ALA . 13.0 mtmt -140.12 -165.72 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 62.32 110.938 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 65.06 35.17 8.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 54.1 110.877 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 179.31 -80.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 70.35 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -78.24 -60.96 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 43.23 110.94 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 131' ' ' LYS . . . -57.94 -52.15 66.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 72.21 111.094 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -54.88 -44.36 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.51 111.075 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -53.49 57.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.885 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.31 -56.34 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 55.31 111.102 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -51.95 -51.46 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 73.43 110.865 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.54 ' CG ' HD23 ' A' ' 201' ' ' LEU . 26.4 m170 -62.83 -48.27 79.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.874 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -51.82 -54.32 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.914 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.1 ttp -62.08 -38.71 89.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 74.52 110.881 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.705 ' HB3' HD11 ' A' ' 201' ' ' LEU . 1.9 t -63.87 -67.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 64.43 110.849 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 145' ' ' THR . 2.5 pp -50.84 -36.45 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 74.41 111.143 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.427 ' N ' HD12 ' A' ' 144' ' ' ILE . 11.2 m -60.8 -55.77 29.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 61.04 111.135 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.406 ' CG2' HD22 ' A' ' 111' ' ' LEU . 39.2 mm -65.56 -48.59 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.02 111.137 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.1 tp -54.68 -59.9 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 64.52 110.945 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.07 -37.67 69.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 73.5 111.131 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -54.9 -62.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.939 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.7 -42.06 87.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.88 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -59.46 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.901 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 2.2 ttt -57.45 -37.13 72.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 71.52 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -52.48 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.3 110.874 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 49.7 mm -64.19 -56.55 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 65.32 111.106 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 80.9 mt -51.77 -60.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 61.52 111.154 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -51.96 -49.76 62.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.888 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -51.82 -42.22 62.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 52.34 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.669 HD21 ' CD2' ' A' ' 96' ' ' PHE . 34.4 mt -91.91 75.19 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 64.24 110.952 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -57.34 151.7 15.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.856 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.616 HG11 ' HB2' ' A' ' 168' ' ' HIS . 31.6 m -79.2 168.94 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 71.43 111.121 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.58 123.83 12.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 74.31 110.862 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -39.43 93.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.849 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.71 84.77 3.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.967 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.1 156.77 47.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.846 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -55.73 -47.1 77.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.851 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -150.26 162.45 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.889 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -53.51 137.72 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.616 ' HB2' HG11 ' A' ' 160' ' ' VAL . 1.6 t60 -53.81 131.8 40.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.815 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -36.45 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.895 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -58.39 -47.02 85.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 72.4 110.894 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.24 -55.69 22.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 51.4 mm -63.03 -37.15 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.42 111.149 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 177' ' ' VAL . 1.8 tt -57.07 -51.82 67.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.89 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.724 ' O ' HG23 ' A' ' 178' ' ' VAL . 1.4 m-20 -50.65 -51.56 47.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.859 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -51.85 -54.15 32.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.43 111.086 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 92.7 t -60.1 -39.18 79.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 60.33 111.11 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 173' ' ' LEU . 91.5 t -66.68 -34.41 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.52 111.135 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 174' ' ' ASP . 92.6 t -70.36 -52.75 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 72.51 111.13 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' VAL . . . . . 0.612 HG22 HD12 ' A' ' 183' ' ' ILE . 4.3 p -58.14 -44.84 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.116 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 184' ' ' LEU . 8.9 p -68.62 -33.04 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 63.55 111.127 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.464 ' C ' HD21 ' A' ' 204' ' ' LEU . 0.4 OUTLIER -64.19 -53.64 46.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 44.02 110.85 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -62.78 -49.13 76.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 73.42 110.855 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 179' ' ' VAL . 88.3 mt -57.76 -55.88 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 65.03 111.126 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.582 ' CD1' HG22 ' A' ' 180' ' ' VAL . 52.8 mt -57.32 -35.38 69.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.887 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . 0.531 ' O ' HD13 ' A' ' 200' ' ' LEU . 6.0 t70 -61.02 -56.98 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 52.11 110.835 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 14.1 pt -65.92 -41.57 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 52.44 111.154 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 183' ' ' ILE . 46.9 t -54.5 -53.94 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 65.14 111.124 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.757 ' HB3' HD11 ' A' ' 200' ' ' LEU . 0.0 OUTLIER -69.89 -32.07 70.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.918 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 197' ' ' ALA . 1.2 tp -55.33 -50.79 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 43.43 110.926 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -81.02 -25.38 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.899 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -49.46 -71.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 54.45 110.887 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -85.59 -28.87 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.85 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.24 32.22 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.02 110.853 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -178.36 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.873 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -52.03 -26.91 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.54 110.855 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.29 -34.42 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 64.14 110.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 200' ' ' LEU . . . -51.05 -54.47 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 52.52 111.087 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 202' ' ' ILE . 4.3 mp -51.13 -40.16 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.942 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -51.48 -48.71 48.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 72.13 112.528 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.757 HD11 ' HB3' ' A' ' 188' ' ' LEU . 3.4 mt -51.02 -41.26 59.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 73.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 143' ' ' SER . 0.2 OUTLIER -67.42 -48.15 68.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.928 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 198' ' ' LEU . 1.4 mp -52.58 -59.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.141 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.631 HD13 ' CH2' ' A' ' 207' ' ' TRP . 1.2 pp -56.62 -44.41 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 63.24 110.891 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 203' ' ' LEU . 1.6 mp -50.98 -61.04 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 60.22 110.938 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' ARG . . . . . 0.565 ' O ' HG22 ' A' ' 209' ' ' VAL . 0.1 OUTLIER -58.7 -35.44 72.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.25 110.916 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 210' ' ' ALA . 1.6 tt -59.2 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 51.45 110.966 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . 0.631 ' CH2' HD13 ' A' ' 203' ' ' LEU . 29.1 m0 -61.22 -46.88 88.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.42 110.951 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.546 ' NH2' HG11 ' A' ' 177' ' ' VAL . 0.0 OUTLIER -56.57 -68.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.886 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 205' ' ' ARG . 17.0 m -51.33 -32.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 54.22 111.126 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 206' ' ' LEU . . . -60.08 -68.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.44 111.079 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -51.38 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.914 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 42.6 mm -52.87 -69.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.02 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . . . . . . . . . 49.1 mt -50.15 -59.06 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.121 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . 0.402 ' O ' HG22 ' A' ' 218' ' ' ILE . 5.6 t30 -49.69 -29.16 6.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.03 110.888 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -73.83 -49.87 12.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 75.32 112.476 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 220' ' ' VAL . 12.2 tt -66.92 -35.4 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.739 0.304 . . . . 73.31 111.102 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' ILE . . . . . 0.685 HG22 ' CE ' ' A' ' 221' ' ' LYS . 12.0 mm -70.52 -51.57 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 71.35 111.14 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 214' ' ' ASN . 13.8 tt -64.1 -31.0 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 71.43 111.12 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 25.7 t -76.85 -34.99 57.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.861 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 216' ' ' ILE . 38.0 t -77.96 -44.11 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 52.24 111.129 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' LYS . . . . . 0.685 ' CE ' HG22 ' A' ' 217' ' ' ILE . 3.7 ptpt -66.32 -37.86 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 60.43 110.888 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.1 t -73.36 -30.4 63.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 64.22 111.164 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -125.53 90.12 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.02 110.901 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 30.5 t -170.56 -73.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 52.31 110.887 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -80.13 -34.84 37.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.899 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 75.23 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.924 0.392 . . . . 45.01 110.811 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -158.99 67.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.897 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.36 -177.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 72.34 110.889 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.85 -75.83 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.9 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 52.22 75.05 0.69 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 64.52 111.111 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 157.27 60.91 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.651 2.234 . . . . 73.51 112.356 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.1 mt -150.49 -69.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 71.34 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -51.44 -37.56 49.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.0 110.867 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 92' ' ' LEU . 33.3 t80 -70.98 -53.99 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.842 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.817 ' HA ' HD12 ' A' ' 92' ' ' LEU . 1.2 mmt180 -51.72 -37.81 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 71.24 110.89 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.21 -42.57 97.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 73.33 112.503 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.5 ttm -66.51 -38.21 86.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 73.14 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 89' ' ' ARG . 6.4 mt -65.42 -53.35 44.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.898 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -45.84 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.2 110.864 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -64.94 -35.82 82.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 63.11 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.68 -59.95 3.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 62.25 110.913 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.71 -51.16 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.863 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.6 m -53.27 -54.88 29.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 62.01 110.855 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.2 m -54.85 -46.51 74.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 60.54 110.837 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.419 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -55.91 -67.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.1 110.887 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -52.41 -35.81 52.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 71.43 110.871 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.422 ' C ' HD12 ' A' ' 105' ' ' ILE . 1.4 m-85 -52.98 -60.42 3.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 63.21 110.831 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.18 -34.88 33.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 64.02 110.931 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 99' ' ' HIS . 20.7 t -64.17 -64.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 64.23 111.184 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.4 pt -55.21 -34.86 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.03 111.14 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 109' ' ' VAL . 29.6 mt -70.12 -67.55 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 60.13 111.128 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 110' ' ' VAL . 50.4 mt -51.4 -39.91 22.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 65.42 111.119 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.6 t -66.3 -49.59 66.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 53.31 110.883 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.48 -35.96 80.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.951 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 105' ' ' ILE . 98.7 t -66.96 -51.67 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 45.41 111.182 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 106' ' ' ILE . 93.9 t -58.75 -52.1 64.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 74.42 111.172 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -59.43 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.935 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 116' ' ' VAL . 31.1 t70 -52.1 -44.53 64.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.898 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.03 77.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 63.41 111.148 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -50.7 73.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.905 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -59.66 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 112' ' ' ASP . 91.2 t -51.99 -51.17 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 71.4 111.147 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 24.6 tp -51.88 -55.31 20.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.934 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.91 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 22.33 111.133 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.0 -35.82 79.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 61.34 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.89 -56.49 11.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 73.44 110.905 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 21.4 pt -59.97 -34.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 75.02 111.087 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.01 -56.8 5.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 71.11 110.916 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -58.43 -47.3 84.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 73.53 110.852 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.671 ' O ' HD13 ' A' ' 127' ' ' ILE . 1.0 OUTLIER -51.95 -45.16 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.912 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -54.83 -32.55 60.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.883 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 128' ' ' GLN . 21.1 mm -74.72 -28.65 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 53.45 111.128 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.72 HG22 ' NE2' ' A' ' 128' ' ' GLN . 19.0 mm 72.86 -61.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 52.33 111.171 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.72 ' NE2' HG22 ' A' ' 127' ' ' ILE . 33.5 mm-40 -128.66 153.59 79.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 54.12 110.896 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 107.28 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 70.24 112.304 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -118.61 -44.36 2.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.864 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.562 ' HG2' ' HB2' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -51.89 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.888 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.2 m120 56.98 42.95 25.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 63.51 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.67 -64.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 63.1 110.86 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.91 -56.81 4.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 74.12 110.923 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.562 ' HB2' ' HG2' ' A' ' 131' ' ' LYS . . . -51.46 -52.28 47.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 75.25 111.105 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.4 96.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 64.05 111.1 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.05 -53.95 49.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.875 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.0 t -63.71 -52.18 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.1 111.096 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -51.72 -50.89 59.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 72.42 110.897 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -60.42 -50.82 72.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 73.44 110.83 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.23 -48.4 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.982 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -50.57 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 73.12 110.863 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.702 ' CB ' HD11 ' A' ' 201' ' ' LEU . 1.8 t -52.52 -47.76 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 42.31 110.878 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.597 HG23 ' HB ' ' A' ' 178' ' ' VAL . 41.0 mm -60.41 -49.54 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 75.02 111.081 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 10.4 m -52.68 -46.61 67.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 62.42 111.157 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 43.2 mm -64.74 -45.23 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.32 111.129 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 205' ' ' ARG . 7.1 mt -53.58 -57.91 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 74.03 110.927 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.663 ' CG2' HG11 ' A' ' 178' ' ' VAL . 60.0 t -58.72 -49.13 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 62.23 111.084 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -51.95 -55.63 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.51 110.904 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.577 ' HE2' HD11 ' A' ' 154' ' ' ILE . 1.0 OUTLIER -56.54 -43.93 80.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.883 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -59.13 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 63.3 110.835 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -41.34 76.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 62.52 110.919 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -54.46 -50.42 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 70.42 110.896 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.711 HD13 ' O ' ' A' ' 158' ' ' LEU . 43.5 mm -64.15 -55.92 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 54.55 111.153 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 43.5 mm -52.01 -37.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 74.33 111.112 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.17 -59.92 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.907 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.08 58.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 73.51 110.889 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.711 ' O ' HD13 ' A' ' 154' ' ' ILE . 1.4 mt 69.18 -74.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 64.51 110.895 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -129.66 150.44 50.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.3 110.92 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 7.5 p -176.71 144.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 61.45 111.1 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -103.48 127.05 50.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 71.15 110.913 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -173.63 153.66 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.865 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.4 mp -103.12 36.06 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.874 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 53.56 89.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 74.55 110.881 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -99.93 -42.09 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 61.12 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -146.41 114.46 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 71.31 110.883 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -104.41 152.15 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 63.22 110.867 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -175.27 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 74.14 110.851 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.562 ' O ' HG22 ' A' ' 172' ' ' ILE . 0.0 OUTLIER -73.62 -55.81 5.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 70.12 110.925 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -52.82 -30.12 31.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.905 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -50.77 -33.51 23.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 73.01 110.87 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 176' ' ' VAL . 9.7 tp -50.65 -31.57 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 62.41 111.124 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 177' ' ' VAL . 2.5 tm? -52.58 -62.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.902 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -46.65 65.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.862 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.687 ' O ' HG23 ' A' ' 179' ' ' VAL . . . -54.97 -56.56 18.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.24 111.129 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 172' ' ' ILE . 47.2 t -54.72 -37.47 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 65.24 111.125 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 173' ' ' LEU . 89.5 t -60.78 -59.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 74.32 111.075 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . 0.663 HG11 ' CG2' ' A' ' 148' ' ' VAL . 32.4 m -60.2 -27.3 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.147 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 175' ' ' ALA . 41.6 t -66.37 -60.61 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 75.31 111.164 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 22.8 m -60.52 -40.87 85.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 71.11 111.161 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.441 ' HB2' HD11 ' A' ' 204' ' ' LEU . 0.8 OUTLIER -62.91 -52.5 62.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 42.53 110.888 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . 0.431 ' CE2' HD13 ' A' ' 186' ' ' ILE . 79.7 t80 -55.47 -45.61 76.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 72.42 110.861 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ILE . . . . . 0.668 HD13 HD11 ' A' ' 186' ' ' ILE . 26.2 mm -58.84 -46.94 90.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 71.03 111.135 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.0 -42.54 85.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.947 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . 0.495 ' OD1' HD12 ' A' ' 200' ' ' LEU . 2.5 m-20 -60.45 -58.25 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 75.04 110.863 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.668 HD11 HD13 ' A' ' 183' ' ' ILE . 15.5 pt -60.03 -40.89 84.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 70.43 111.108 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 183' ' ' ILE . 21.1 t -58.54 -43.16 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.51 111.149 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -36.27 80.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.882 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 197' ' ' ALA . 22.1 tp -60.99 -50.06 74.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 61.13 110.937 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.51 -25.89 59.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 63.24 110.856 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.05 -69.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.884 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -179.61 -34.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 75.52 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -77.3 57.92 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.885 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -55.92 169.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.933 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 5.3 t80 70.82 -69.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.876 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.46 -25.02 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' A' ' 189' ' ' LEU . . . -48.07 -37.99 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 75.53 111.071 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . 59.3 mt -48.81 -35.83 15.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . 0.746 ' HA2' HD12 ' A' ' 202' ' ' ILE . . . -51.65 -44.94 54.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 72.13 112.513 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.567 ' HA ' HD21 ' A' ' 203' ' ' LEU . 0.4 OUTLIER -48.84 -49.97 36.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 60.4 110.9 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.702 HD11 ' CB ' ' A' ' 143' ' ' SER . 3.3 tm? -65.58 -36.66 84.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 63.31 110.93 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ILE . . . . . 0.746 HD12 ' HA2' ' A' ' 199' ' ' GLY . 21.7 mt -63.87 -58.56 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 62.42 111.088 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 200' ' ' LEU . 1.8 pp -54.89 -38.34 67.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.874 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.553 HD22 HD12 ' A' ' 203' ' ' LEU . 0.3 OUTLIER -62.82 -48.1 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 71.53 110.896 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' ARG . . . . . 0.736 ' HA ' HD11 ' A' ' 147' ' ' LEU . 48.7 ttp180 -58.61 -47.88 82.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.865 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -57.95 6.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 72.15 110.892 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' TRP . . . . . 0.424 ' CE3' HD13 ' A' ' 204' ' ' LEU . 8.5 t90 -52.05 -45.64 64.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 64.11 110.906 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.445 ' CG ' HD22 ' A' ' 147' ' ' LEU . 4.8 tpm_? -61.07 -64.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 73.2 110.864 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 205' ' ' ARG . 88.0 t -50.18 -58.07 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.143 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -49.64 -44.77 47.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 73.23 111.079 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -59.36 -50.33 74.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 74.53 110.875 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 45.7 mm -54.18 -61.7 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.111 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 209' ' ' VAL . 3.7 mp -56.4 -59.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.105 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 218' ' ' ILE . 65.8 t30 -50.32 -28.56 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.862 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' GLY . . . . . . . . . . . . . . . -73.76 -49.14 14.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 63.25 112.507 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 213' ' ' ILE . 0.0 OUTLIER -67.59 -34.13 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 54.42 111.181 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 213' ' ' ILE . 14.8 mm -71.36 -51.34 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.141 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 214' ' ' ASN . 8.4 tt -64.32 -32.37 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 60.15 111.119 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 39.3 t -76.88 -33.58 57.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.881 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 216' ' ' ILE . 9.4 t -76.34 -44.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 64.43 111.166 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -68.45 -37.47 80.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 65.24 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 6.2 t -73.14 -30.08 63.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 64.44 111.159 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -130.39 79.24 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 73.14 110.853 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' SER . . . . . . . . . . . . . 45.6 t -115.05 39.07 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 54.32 110.865 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -179.44 -35.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 65.42 110.861 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 62.52 110.865 -179.927 . . . . . . . . 0 0 . 1 stop_ save_