data_1ul4_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1ul4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -94.24 88.98 5.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mt -133.02 21.57 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.069 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -85.16 128.49 34.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -60.28 -35.89 76.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.738 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.7 t -62.7 124.41 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.059 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -78.98 159.64 27.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? 63.22 22.55 13.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.33 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.6 t -85.24 132.95 34.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.695 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -120.28 28.6 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.516 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.12 137.25 32.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.49 120.33 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.2 mtp -106.63 38.12 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -59.49 -34.38 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -133.83 79.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.77 169.17 9.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.57 166.4 17.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.74 -17.98 64.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.256 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -79.9 -28.86 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -97.59 -28.87 13.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -80.11 -31.2 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -75.25 -51.28 13.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.036 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -73.21 -8.68 56.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.415 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mttm 63.27 46.49 4.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.907 0.384 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.72 158.77 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 27.7 m -96.0 148.94 22.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.033 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.74 -32.66 71.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.469 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.9 t -75.46 -32.5 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.765 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -81.54 -28.51 33.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.78 96.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.208 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.25 45.98 2.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.96 175.9 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.85 73.41 2.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 p 62.98 109.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 t -90.8 157.62 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.423 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 5.3 t80 -90.77 89.33 7.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 tp -112.03 124.72 53.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.64 20.34 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.261 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 93.41 -38.31 3.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.725 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.05 167.76 18.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.994 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -87.95 113.21 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -123.33 123.8 41.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -105.1 171.6 7.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -88.66 158.03 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.4 t -131.64 94.47 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.648 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -23.44 27.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.26 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -54.13 49.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.171 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.8 m -105.46 -4.68 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.452 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t 69.61 -1.0 2.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.36 -171.23 2.59 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -110.04 128.96 55.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -127.29 147.56 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.019 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -64.68 166.58 8.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.068 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.69 -31.93 63.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -25.59 65.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.8 -30.85 40.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -82.11 149.56 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -162.88 175.01 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 60.52 176.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.65 -31.14 69.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -78.44 123.99 27.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 52.98 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.51 175.58 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 161.19 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.067 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -29.9 24.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 132.34 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 77.18 -59.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.978 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.34 -58.47 6.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.081 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.789 0.328 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -99.83 82.68 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 mt -109.73 -22.44 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.2 t -53.67 126.89 23.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.893 0.377 . . . . 0.0 111.119 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -66.7 -31.23 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.49 115.95 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.08 154.46 41.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 60.76 29.55 19.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.97 148.65 44.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.1 p -110.16 -32.86 6.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.2 137.93 58.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -92.21 135.25 34.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mtp -106.54 36.23 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -65.47 -34.92 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -142.22 83.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.15 176.98 6.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.19 172.86 8.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -31.21 69.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -80.82 -29.69 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -98.16 32.5 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -125.99 -51.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -66.07 -33.3 75.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -89.31 -25.43 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt 65.45 55.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.806 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 p -143.52 141.54 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.0 m -73.11 152.69 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.92 -33.87 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.608 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.7 t -78.81 -30.87 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.775 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.418 ' CD2' HG12 ' A' ' 85' ' ' VAL . 6.2 m170 -83.02 -28.99 29.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.68 -56.38 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -100.51 41.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.53 177.06 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.1 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.37 -29.89 9.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -172.23 102.8 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.418 HG12 ' CD2' ' A' ' 79' ' ' HIS . 5.9 t -96.75 157.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.407 ' CE1' ' O ' ' A' ' 89' ' ' GLY . 5.1 t80 -96.04 105.98 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.3 122.01 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 59.02 25.6 14.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 86' ' ' PHE . . . 90.44 -46.48 3.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.664 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.89 164.56 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.387 . . . . 0.0 110.951 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -80.03 145.24 32.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -150.67 161.45 42.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 3.3 mmm180 -139.33 147.06 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.02 128.54 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.006 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.8 t -110.3 97.21 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -28.73 67.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -48.1 77.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 6.8 m -111.18 20.55 17.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.246 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 t 44.27 25.12 0.1 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -135.83 -173.59 3.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -106.79 156.11 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 19.2 m-70 -140.46 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -68.1 148.57 50.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.9 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -22.05 64.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.127 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.86 -41.26 26.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 93' ' ' ARG . 75.3 m-85 -76.58 159.5 30.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -172.93 -178.47 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -60.34 -178.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.32 -78.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -107.12 146.31 31.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.54 44.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -146.23 56.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.43 164.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -126.31 23.88 6.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -90.14 -70.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.24 -30.87 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -43.99 92.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.812 0.339 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -100.34 82.2 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -110.79 -25.89 9.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -54.71 123.18 12.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.864 0.364 . . . . 0.0 110.998 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -60.28 -30.99 69.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 t -62.56 143.42 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.02 160.94 16.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 62.08 23.09 13.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.363 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.2 t -84.94 108.48 17.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.7 p -104.41 31.0 4.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.34 -171.91 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -121.3 109.09 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.3 mtp -98.94 30.96 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -75.65 -54.26 7.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.753 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -101.84 46.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.1 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -85.46 164.95 17.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -21.5 64.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 85.3 t80 -79.94 -53.43 6.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.352 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -62.35 -29.45 70.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.06 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -79.95 -30.99 39.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -48.74 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.409 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 45.0 m-70 -79.47 -3.06 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.493 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mttt 61.49 43.38 10.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.003 0.43 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.9 p -147.4 147.71 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.9 p -97.23 171.57 8.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -68.82 -33.39 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.9 -29.71 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.405 ' CD2' HG12 ' A' ' 85' ' ' VAL . 18.5 m80 -105.52 -30.72 9.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.79 -31.65 68.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -115.02 29.56 7.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.12 178.13 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -104.36 -32.62 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.7 p -162.75 141.0 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.405 HG12 ' CD2' ' A' ' 79' ' ' HIS . 5.9 t -133.31 157.44 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.051 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.408 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.9 OUTLIER -104.67 84.69 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 mt -98.62 121.64 40.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m 59.76 42.42 16.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.408 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 60.76 26.71 65.43 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.496 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 tp -139.9 148.08 41.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -80.37 123.74 28.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -142.27 148.06 37.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -113.31 160.64 18.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -82.15 112.98 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.015 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.4 t -87.71 105.98 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.665 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -23.0 66.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -39.63 90.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.6 m -117.45 17.74 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.393 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t 45.69 23.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -135.09 173.21 11.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.805 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -85.49 154.97 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.08 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -142.42 168.9 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.4 148.37 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.6 tp -69.14 -13.67 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.362 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -90.12 17.92 6.46 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.486 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -107.16 -30.8 8.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -102.6 152.82 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.53 162.83 38.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.009 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.16 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.983 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.56 41.19 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.4 97.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.07 27.39 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 m 60.74 175.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.41 178.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.38 23.35 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -90.0 -66.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -91.37 -30.44 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -50.77 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -82.31 102.37 11.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mt -142.18 23.6 2.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.79 131.86 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -67.67 -29.62 68.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.426 HG13 ' CD2' ' A' ' 79' ' ' HIS . 10.8 t -65.32 144.94 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -90.07 161.24 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.033 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 58' ' ' ARG . 12.4 mtm105 61.85 22.62 13.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.5 t -86.21 127.89 34.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.8 p -140.44 29.43 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.93 160.09 16.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.86 115.47 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.84 32.01 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.45 -47.39 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.16 56.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.99 156.17 27.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -175.05 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.11 -26.47 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -79.96 -29.54 39.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -98.63 33.67 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.59 -78.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -58.16 -26.57 62.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -77.22 -22.12 52.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.2 mttm 62.33 44.9 7.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 p -146.41 140.99 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -91.1 173.74 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.63 -29.39 67.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.179 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.51 -29.67 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.278 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.426 ' CD2' HG13 ' A' ' 56' ' ' VAL . 16.4 m80 -104.57 -30.26 10.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.981 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.64 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.18 33.45 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.42 147.14 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -51.34 24.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.0 p -159.26 113.67 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.403 HG11 ' CD2' ' A' ' 79' ' ' HIS . 4.7 t -98.02 157.12 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -97.04 96.33 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.5 tp -114.89 128.48 56.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t 61.09 32.52 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.18 29.88 73.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.16 158.5 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.819 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -80.1 125.03 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -140.43 119.43 12.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.45 ' CG ' ' CE2' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -89.84 160.0 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -79.03 113.46 17.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.6 t -84.25 106.18 15.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.664 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.0 -15.2 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.299 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.92 -36.94 67.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.667 0.27 . . . . 0.0 111.301 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.0 m -122.18 -0.74 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.519 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.76 3.27 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -96.33 -170.18 2.05 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -115.69 119.89 37.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -118.35 158.08 25.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.42 161.19 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.025 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.39 -28.59 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.16 16.4 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.445 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -109.78 31.08 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.936 0.398 . . . . 0.0 110.949 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.45 ' CE2' ' CG ' ' A' ' 93' ' ' ARG . 97.6 m-85 -140.69 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.52 153.74 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -34.58 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.25 -45.8 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -95.81 128.47 42.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -98.35 33.86 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -131.44 168.76 17.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.22 176.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.965 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -130.28 17.0 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.38 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -90.12 -36.02 15.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.69 -31.86 7.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -43.81 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.74 0.305 . . . . 0.0 111.276 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -111.19 82.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 mt -94.8 -28.36 15.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.174 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.6 t -57.55 139.34 53.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -76.94 -31.49 56.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 t -60.77 145.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -90.01 160.3 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.02 20.32 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.316 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.7 t -90.1 124.28 34.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.81 0.338 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -111.78 29.63 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.98 152.5 21.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.071 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.42 130.07 46.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 43.3 mtp -125.79 37.62 4.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -59.93 -42.71 94.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -136.96 74.24 1.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.7 -175.83 3.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -79.51 164.2 24.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.41 -18.06 63.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.204 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.439 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 86.5 t80 -79.97 -38.77 31.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.777 0.322 . . . . 0.0 110.956 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -77.96 -28.87 49.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.066 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -80.0 -31.17 39.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 -76.12 -31.36 58.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.439 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 21.6 m-70 -94.81 -9.42 34.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.405 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 mttp 61.59 42.56 10.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.9 p -145.07 143.93 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.0 p -92.57 169.0 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.34 -34.58 78.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.1 t -58.99 -38.14 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.357 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.414 ' CD2' HG13 ' A' ' 85' ' ' VAL . 23.2 m80 -96.77 -30.26 13.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.39 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.73 31.45 6.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.94 174.36 7.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.5 t -102.82 -30.75 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.8 p -165.49 118.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.414 HG13 ' CD2' ' A' ' 79' ' ' HIS . 5.9 t -104.95 157.57 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' A' ' 89' ' ' GLY . 0.5 OUTLIER -101.59 85.98 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.804 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.22 117.85 33.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.5 m 58.73 23.42 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.401 ' O ' ' CE1' ' A' ' 86' ' ' PHE . . . 95.21 -28.6 11.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.592 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.04 149.52 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -80.26 117.08 20.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -120.36 147.46 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.429 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 2.1 tpp180 -114.62 144.87 42.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.785 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -70.16 108.84 4.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 48.7 t -92.34 101.05 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -65.03 -26.31 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -41.69 80.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.994 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.1 m -113.96 13.57 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.306 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t 52.11 17.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -131.26 176.64 8.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.76 0.314 . . . . 0.0 110.911 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -92.87 155.34 17.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.145 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 9.2 m-70 -141.37 166.27 25.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.765 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.48 150.15 47.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.731 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tp -58.53 -30.64 67.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -65.38 -17.01 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -96.72 34.06 1.74 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' A' ' 93' ' ' ARG . 84.2 m-85 -148.59 119.3 7.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.12 165.93 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -63.94 -33.65 76.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.92 -46.7 5.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 137.41 49.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 40.68 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.708 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.463 ' HB2' ' HG ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -141.1 -166.45 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.91 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -169.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.698 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.17 -28.9 9.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.952 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.98 127.58 33.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.62 -60.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.25 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.463 ' HG ' ' HB2' ' A' ' 113' ' ' SER . 0.1 OUTLIER -46.7 -49.01 20.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.259 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 111.03 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.803 0.335 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 90.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.4 mt -112.08 -28.02 8.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 t -56.07 129.52 40.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.01 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.34 -26.07 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.404 HG13 ' CD2' ' A' ' 79' ' ' HIS . 10.0 t -57.53 143.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.178 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -86.78 160.68 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 21.64 12.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.304 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.2 t -89.43 142.55 27.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.878 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.4 p -142.15 25.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.08 122.7 33.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -63.55 112.33 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.0 mtp -98.15 35.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -70.99 -31.33 67.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -110.31 41.56 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.93 178.61 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.63 -179.32 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.007 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.68 -22.68 67.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -79.87 -29.15 39.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.02 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -97.95 -29.13 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -79.98 -47.18 15.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -59.55 -41.93 91.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -82.99 -11.76 57.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.272 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.3 mttp 61.13 42.03 12.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.919 0.39 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -146.21 144.49 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 p -95.81 176.28 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.58 -31.27 69.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.126 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.3 t -61.92 -28.44 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.362 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.41 ' CD2' HG12 ' A' ' 85' ' ' VAL . 34.7 m80 -110.19 -29.9 7.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -33.89 72.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -86.12 -40.12 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.38 70.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.52 -67.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.8 p -77.27 106.09 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.41 HG12 ' CD2' ' A' ' 79' ' ' HIS . 7.1 t -121.85 157.52 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -88.78 90.62 8.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -116.53 133.88 55.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.795 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.4 m 60.34 39.6 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.81 27.98 65.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.46 166.68 30.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -86.82 115.72 24.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -121.79 162.99 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -126.28 155.52 41.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.787 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -75.14 124.71 27.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 50.9 t -106.03 99.75 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.814 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -26.13 67.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -44.35 94.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.019 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.0 m -111.52 15.47 21.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.474 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 t 50.67 18.63 0.5 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -132.84 -178.59 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.779 0.323 . . . . 0.0 110.758 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -95.8 159.39 15.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.168 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 9.2 m-70 -144.34 160.36 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -63.27 158.76 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.66 -15.78 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.274 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.18 18.81 5.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.379 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -111.42 -33.99 6.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.763 0.316 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 21.7 m-85 -89.85 160.57 16.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.93 165.23 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.03 -31.32 69.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.2 -54.21 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -71.26 134.6 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.801 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -117.36 42.65 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.16 -167.06 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.99 157.67 20.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.4 mtm105 -81.72 -27.96 33.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.72 135.32 49.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.742 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 71.6 -63.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.89 -61.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.914 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.846 0.355 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.36 74.57 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.64 -29.32 7.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.26 122.88 12.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -60.01 -28.76 67.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.41 HG13 ' CD2' ' A' ' 79' ' ' HIS . 4.1 t -64.19 145.78 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.12 160.24 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.89 19.48 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.288 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.9 t -90.06 138.29 31.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.1 t -137.17 35.78 2.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.206 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.08 148.95 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -89.98 119.53 30.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.3 mtp -108.07 32.51 4.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -75.12 -34.25 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -124.38 55.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.51 174.47 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -84.88 167.91 15.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -20.48 64.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -79.82 -43.39 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -74.13 -25.26 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -79.93 -44.5 20.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 ttm-85 -59.07 -50.32 74.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -73.48 -12.1 60.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.335 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp 61.7 53.48 3.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 p -154.39 148.11 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.5 p -93.71 158.57 15.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.85 -32.84 72.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.275 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.12 -42.77 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.45 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.41 ' CD2' HG13 ' A' ' 56' ' ' VAL . 17.8 m80 -90.2 -29.4 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.979 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.55 -29.21 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.66 40.22 3.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.72 -30.22 18.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m 69.59 10.23 7.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.476 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 p -179.64 113.56 0.05 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.685 0.279 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.9 t -131.22 156.7 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.201 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.405 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.3 t80 -99.64 92.36 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tp -107.06 111.25 23.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.47 35.68 24.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.405 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 73.05 26.79 69.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.73 149.27 43.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -79.95 122.71 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -132.84 161.79 33.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.435 ' HB2' ' CE1' ' A' ' 107' ' ' PHE . 37.6 mtp180 -130.7 151.69 50.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.795 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -76.14 109.0 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 46.7 t -92.58 101.18 13.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -63.79 -26.97 68.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -59.09 -41.79 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.066 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.9 m -113.61 16.51 18.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.405 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t 49.26 20.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -134.73 -177.41 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.698 0.285 . . . . 0.0 110.778 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -99.47 159.98 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.191 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -143.34 178.91 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.16 150.34 45.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.05 -21.29 58.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.3 50.36 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.975 0.417 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -155.4 26.55 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 93' ' ' ARG . 25.9 m-85 -155.08 64.08 0.64 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.702 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -178.2 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.069 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.46 -33.28 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.51 -56.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 146.07 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -107.04 35.05 3.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 m -152.88 -59.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.11 179.36 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.818 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.62 26.65 5.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -54.32 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.5 ttm105 -111.88 -33.86 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.3 tp -58.66 -38.61 78.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.784 0.326 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -144.67 77.06 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 mt -108.74 -28.14 9.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.1 t -56.86 132.33 52.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.085 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -81.64 -25.83 35.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.88 123.88 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.201 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.74 157.21 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.95 25.99 15.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.7 t -74.44 133.64 42.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.829 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 p -132.04 28.51 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.263 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.93 179.76 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.011 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -108.0 121.94 45.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.3 mtt -120.29 31.09 6.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -65.09 -43.02 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -136.33 80.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.19 161.68 17.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -79.25 175.91 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -25.28 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.441 ' CZ ' ' NE2' ' A' ' 73' ' ' HIS . 73.9 t80 -79.89 -52.82 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -64.46 -18.47 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.91 -32.56 40.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -46.11 60.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.441 ' NE2' ' CZ ' ' A' ' 69' ' ' TYR . 77.9 m-70 -80.0 -25.58 40.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.62 53.97 1.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.957 0.408 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 p -150.94 138.6 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.5 m -72.35 160.58 32.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -62.23 -32.02 72.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 t -76.53 -30.8 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.416 ' CD2' HG12 ' A' ' 85' ' ' VAL . 31.4 m170 -89.86 -22.96 21.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.16 -44.06 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.244 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.05 26.43 4.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.08 155.63 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 p -85.53 -31.51 22.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.71 106.22 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG12 ' CD2' ' A' ' 79' ' ' HIS . 6.1 t -96.65 157.59 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.015 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.423 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 2.1 t80 -90.05 79.18 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.0 122.7 41.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.14 32.78 21.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.98 27.4 73.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.623 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.43 -173.85 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -114.09 110.87 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -138.14 145.66 41.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 107' ' ' PHE . 12.3 ttm-85 -111.94 136.03 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.2 112.09 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.61 98.17 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.43 -26.68 68.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.71 72.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.027 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.6 m -119.34 12.99 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.343 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 t 54.35 15.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -129.91 178.62 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.83 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -95.88 156.7 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -141.67 154.05 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.1 154.3 27.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.83 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.21 -27.58 64.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -73.45 -8.29 55.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -96.32 29.8 2.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 35.9 m-85 -145.0 68.07 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -58.87 142.64 50.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.026 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 58.57 -177.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.43 65.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.044 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -125.78 124.78 41.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.3 mtt85 -97.1 40.49 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.96 171.37 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.16 -172.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -138.14 27.84 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.232 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -90.05 -66.34 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.048 0.452 . . . . 0.0 110.894 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -103.55 -29.5 11.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -39.83 79.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.45 88.07 7.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 mt -138.0 22.92 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.27 134.3 33.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -65.58 -30.47 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 t -69.45 144.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.93 159.85 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.001 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 61.51 25.12 15.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.331 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.0 t -81.6 101.55 10.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.346 . . . . 0.0 110.751 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 p -98.45 27.24 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.07 159.7 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -99.13 118.52 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.33 31.05 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -31.4 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -121.99 68.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.79 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.72 -175.84 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -110.31 -179.89 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.6 mt -71.95 -19.7 61.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.161 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -79.89 -54.76 5.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.979 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' CE1' ' HB2' ' A' ' 77' ' ' GLU . 10.0 m170 -63.94 -27.73 69.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -87.4 6.78 32.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.422 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 -32.19 8.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -98.91 9.06 44.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.43 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.58 35.04 24.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 p -138.48 148.95 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.5 p -95.51 174.23 7.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.821 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 21.0 tt0 -69.26 -29.23 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.63 -28.55 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.416 ' CD2' HG13 ' A' ' 85' ' ' VAL . 17.6 m80 -105.88 -30.35 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.095 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.87 82.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -111.93 31.47 6.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.9 170.75 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.18 -31.65 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.5 p -151.09 136.06 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG13 ' CD2' ' A' ' 79' ' ' HIS . 6.0 t -141.88 157.42 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.43 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.5 t80 -99.89 126.4 46.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.87 118.32 7.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.6 m 59.66 32.34 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 70.81 34.87 66.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.99 142.57 21.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.764 0.316 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -79.97 136.39 36.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -140.21 -177.75 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -142.79 151.89 41.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -80.86 96.11 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 35.7 t -82.0 103.08 11.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -65.68 -28.8 69.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -40.17 69.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.2 m -115.22 10.35 15.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.353 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.8 t 52.58 16.99 0.72 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -129.45 173.64 10.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.767 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -85.25 156.58 20.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -143.71 159.51 42.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.74 149.3 47.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.27 -23.24 65.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -89.99 14.88 11.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.34 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -108.75 27.85 9.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.778 0.323 . . . . 0.0 111.029 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -147.33 59.71 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.01 158.63 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.99 -171.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.78 51.98 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -113.42 120.27 40.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -93.84 47.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.69 -173.17 4.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.48 169.46 11.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.0 ttp85 -107.64 24.9 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.316 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -43.85 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.042 0.449 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.08 -33.58 6.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.002 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -35.83 75.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.416 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -73.93 92.17 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.8 mt -117.5 -37.2 3.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.88 142.5 41.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -77.75 -34.39 52.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.8 t -60.15 142.62 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.15 158.71 19.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.82 22.21 12.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.318 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.1 t -89.95 111.15 22.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.814 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 t -103.45 31.03 4.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.91 132.46 35.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.68 109.45 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.1 mtp -101.89 31.3 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.964 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -84.93 -31.34 23.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -118.23 50.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.36 151.09 22.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 169.71 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.73 -15.42 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.278 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -79.82 -30.26 40.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -101.47 32.3 3.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -117.51 -66.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -26.47 39.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -76.55 -18.53 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm 63.06 31.21 16.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.6 p -144.77 137.34 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.997 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -88.8 173.02 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -67.08 -29.58 69.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.212 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.58 -28.66 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.38 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.428 ' CD2' HG13 ' A' ' 85' ' ' VAL . 22.9 m80 -106.62 -30.68 8.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.052 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.39 -38.68 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.01 -20.89 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.8 131.24 35.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.861 0.363 . . . . 0.0 111.254 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -67.11 -30.22 70.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.1 p -157.92 139.02 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.428 HG13 ' CD2' ' A' ' 79' ' ' HIS . 6.0 t -125.81 157.44 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.3 OUTLIER -98.92 81.01 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.703 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 tp -89.38 111.61 22.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.35 31.03 20.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 76.34 46.54 12.23 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.88 150.72 22.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.82 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -81.27 120.14 24.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -136.4 163.04 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.403 ' O ' ' CD2' ' A' ' 101' ' ' PHE . 8.3 ttm180 -134.99 165.69 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -90.09 116.24 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 50.4 t -93.5 102.57 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.41 -28.2 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -41.5 86.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 27.4 m -113.49 12.86 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.434 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.1 t 52.12 17.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -130.6 -179.59 5.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.812 0.339 . . . . 0.0 110.771 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 93' ' ' ARG . 5.2 m-85 -93.1 158.45 15.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.06 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -144.39 145.97 32.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -58.93 156.69 11.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -25.36 65.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -6.92 51.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.376 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -79.88 -33.9 39.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.37 161.1 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.8 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.2 -38.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -52.4 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.7 -29.68 28.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.387 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -64.31 108.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -93.09 48.39 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.13 -168.71 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.84 139.77 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.83 22.06 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -90.17 -66.34 0.93 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.973 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -100.52 -31.7 11.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -42.45 92.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.083 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -134.01 57.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mt -106.9 24.72 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.998 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.8 t -73.31 135.65 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -69.98 -33.61 72.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.66 141.29 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.05 157.82 17.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 60.83 26.23 16.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.3 t -80.45 145.31 31.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.6 p -151.38 24.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.96 155.53 19.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -68.97 124.86 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -133.16 30.08 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -48.94 60.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -153.34 84.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.08 -79.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.85 154.76 20.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -27.23 17.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -79.93 -29.13 39.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -98.53 29.48 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -112.12 -70.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -52.65 -31.11 35.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -82.13 -26.26 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.995 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt 60.72 47.52 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -133.23 153.78 38.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.7 m -90.73 150.63 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.21 -33.21 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.633 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.4 t -76.25 -31.28 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -85.47 -28.0 25.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.14 -44.12 48.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -101.59 35.55 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.03 144.82 25.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -33.6 72.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.779 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.5 p -170.86 108.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.3 t -100.05 157.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.029 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.406 ' CZ ' ' HA2' ' A' ' 89' ' ' GLY . 4.0 t80 -81.83 117.05 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 tp -144.43 118.46 9.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 t 58.68 26.3 14.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.406 ' HA2' ' CZ ' ' A' ' 86' ' ' PHE . . . 90.91 -45.83 2.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.777 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.95 164.55 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.973 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -86.72 129.88 34.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.761 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -131.47 155.78 46.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.973 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.38 158.6 32.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -74.77 133.93 41.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' SER . 42.7 t -114.39 103.88 11.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.79 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -67.05 -14.85 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.26 -39.56 71.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.746 0.307 . . . . 0.0 111.294 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.1 m -120.0 -3.43 10.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.446 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 95' ' ' CYS . 0.4 OUTLIER 67.57 1.31 2.52 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.657 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -96.4 -169.82 1.97 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.3 126.39 54.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -122.05 153.44 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.021 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -54.39 164.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.45 -11.01 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.353 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.22 19.79 4.83 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.702 0.287 . . . . 0.0 111.462 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.37 30.53 4.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -141.89 107.11 4.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.805 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.72 163.98 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.16 -70.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.49 74.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -81.75 166.27 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -149.39 43.38 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.8 m -152.54 179.94 8.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -173.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -139.53 15.48 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.284 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -90.11 -35.67 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 110.782 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 -33.72 6.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -47.96 67.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.743 0.306 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -67.48 98.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mt -136.41 22.3 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.9 t -83.18 132.65 35.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.783 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' OE1' ' CD1' ' A' ' 101' ' ' PHE . 1.8 pt20 -57.9 -29.43 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.7 t -74.98 142.34 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -88.54 159.11 18.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.0 25.22 15.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.295 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.1 t -86.31 127.68 34.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.769 0.319 . . . . 0.0 110.747 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.25 -26.8 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.22 120.26 7.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.231 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -78.27 144.88 35.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.6 mtp -102.05 32.3 3.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -77.18 -32.23 55.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -118.82 37.69 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.98 172.03 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -100.2 164.69 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.54 -26.97 68.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -79.96 -29.7 39.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -90.49 0.37 57.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.409 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.58 -63.23 1.28 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.914 0.388 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -54.93 -26.49 36.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -82.8 -19.0 38.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 mttp 64.77 30.34 12.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.38 141.08 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.7 p -88.51 167.67 13.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -34.32 76.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.85 -39.13 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.353 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.423 ' CD2' HG12 ' A' ' 85' ' ' VAL . 21.2 m80 -95.22 -30.62 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.85 -30.04 70.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -98.97 -27.06 14.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.53 141.92 35.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.246 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -73.93 -59.53 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.3 p -115.63 157.33 24.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.423 HG12 ' CD2' ' A' ' 79' ' ' HIS . 6.4 t -148.78 157.52 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.42 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.4 OUTLIER -97.78 83.04 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.3 112.63 24.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 p 58.35 34.38 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.42 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 72.24 27.68 69.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 tp -132.32 148.91 52.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -84.47 115.62 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -140.04 165.5 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.425 ' HD3' ' CE1' ' A' ' 107' ' ' PHE . 6.4 mtp-105 -134.03 136.14 43.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.46 111.57 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.01 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 46.2 t -96.52 100.66 12.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.779 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.82 -27.59 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.99 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -43.95 88.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.8 m -109.86 15.05 22.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.336 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.8 t 51.06 18.31 0.54 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -134.97 176.61 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 12.2 m-85 -91.02 160.13 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -141.95 140.5 32.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -57.58 162.78 2.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -27.1 62.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -4.09 43.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.508 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -79.97 -34.51 38.61 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.743 0.306 . . . . 0.0 110.793 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.425 ' CE1' ' HD3' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -146.86 159.62 43.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.71 37.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.34 -173.38 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.15 -28.82 28.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.212 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -65.07 155.23 35.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.756 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -149.73 33.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -154.27 49.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.66 176.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.59 -33.6 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -59.16 124.38 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 74.61 -61.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -46.62 31.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.275 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.17 83.11 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mt -134.14 20.13 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -78.6 122.14 25.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.972 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -60.05 -30.55 69.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 t -63.78 120.2 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.42 159.96 29.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 61.92 22.81 13.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.3 t -78.12 128.91 34.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.805 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.9 p -118.26 24.99 10.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.441 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.13 -165.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -139.39 155.88 47.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -152.64 31.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.68 -35.99 60.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -116.98 41.89 2.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.0 -173.53 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.49 179.03 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.88 -22.91 55.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -80.03 -35.87 36.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -80.56 -26.92 37.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -80.01 -33.25 39.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -68.31 -41.72 80.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -86.05 -15.9 39.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.313 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.52 53.86 3.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.005 0.431 . . . . 0.0 110.948 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.5 p -144.1 139.4 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.017 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.0 m -73.96 151.47 40.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.041 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.08 -39.7 95.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.466 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.91 -31.53 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.925 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -83.11 -27.71 29.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.21 -52.09 45.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -101.32 36.34 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.75 165.3 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -87.81 -35.92 17.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.9 p -171.29 104.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.1 t -87.27 157.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.423 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.5 OUTLIER -96.28 125.57 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.68 109.04 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 m 59.6 39.28 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.77 27.11 73.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.466 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tp -137.42 148.95 46.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.773 0.32 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -82.19 127.07 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.31 164.56 27.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.439 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 8.7 tpp85 -133.24 156.03 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -81.9 125.12 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.2 t -103.94 96.14 6.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.68 -26.93 64.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -42.31 89.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.7 m -113.11 16.96 19.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.426 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 t 49.35 20.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -135.68 178.25 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.78 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -94.79 160.27 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.158 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -143.69 178.75 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.954 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.86 141.61 49.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.802 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.15 -33.48 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -62.16 -24.23 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -79.97 -16.61 54.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.286 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 93' ' ' ARG . 5.4 m-85 -96.01 37.06 1.25 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.83 0.347 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -98.22 167.35 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 60.35 -176.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.73 -30.17 31.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.269 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -67.65 102.53 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 42.5 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.7 m -147.44 -79.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.4 t -165.95 172.81 11.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.947 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -121.43 21.97 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -68.29 0.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.985 0.421 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -107.07 -27.92 10.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -40.59 76.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.77 0.319 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -141.44 79.21 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.09 24.03 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.8 t -88.4 124.23 33.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -65.58 -30.47 71.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.47 137.84 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.04 158.5 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.76 25.46 15.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.211 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.38 137.68 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.338 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.1 t -113.83 -22.73 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.01 131.22 50.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -84.56 138.17 32.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.817 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.1 mtp -103.07 41.83 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -72.78 -55.31 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -92.48 52.38 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.66 140.65 29.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 165.14 22.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mp -54.75 -24.84 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 80.2 t80 -79.88 -39.9 29.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.801 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -76.36 -25.33 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -45.52 18.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -60.13 -48.05 83.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.402 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 14.8 m-70 -77.85 -20.06 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 63.69 62.38 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.861 0.362 . . . . 0.0 110.667 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.9 p -155.49 136.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 33.2 m -67.69 159.89 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.68 -39.13 90.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.589 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -73.21 -30.32 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.928 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.415 ' CD2' HG13 ' A' ' 85' ' ' VAL . 11.1 m170 -85.1 -27.16 26.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.013 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.02 12.74 16.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.653 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.48 28.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.09 -170.64 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.74 -31.16 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.77 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 p -172.66 109.0 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.415 HG13 ' CD2' ' A' ' 79' ' ' HIS . 5.6 t -89.57 157.62 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.036 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.419 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.0 OUTLIER -97.23 92.08 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.91 116.79 32.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t 59.92 35.88 21.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.419 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.8 35.63 89.95 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.56 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -170.49 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.829 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -123.42 85.36 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -103.94 166.66 10.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.93 143.26 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -71.99 117.7 13.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.5 t -96.36 103.71 15.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -65.0 -25.89 68.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.002 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.66 -41.58 81.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.092 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.8 m -118.43 2.4 11.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.417 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t 63.54 5.77 2.28 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -100.86 -170.02 1.79 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -118.2 122.35 42.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.734 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 8.5 m-70 -119.52 143.01 47.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.998 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.11 164.0 1.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.4 mt -75.78 -18.98 59.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.227 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -90.11 17.79 6.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.381 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -109.07 -30.33 8.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 27.9 m-85 -82.13 135.38 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -101.67 152.35 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 60.57 -163.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.75 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -94.26 39.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.183 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -102.25 137.98 39.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.07 35.45 1.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.82 160.07 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.56 -177.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.11 13.66 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -35.07 15.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.773 0.321 . . . . 0.0 110.791 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.81 -33.15 6.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.6 tp -71.01 -52.32 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.881 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.832 0.348 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.4 mmt-85 -78.26 98.9 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -128.47 -41.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 t -52.18 136.79 29.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -83.17 -28.41 29.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.408 HG11 ' CD2' ' A' ' 79' ' ' HIS . 9.5 t -57.96 143.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -86.92 160.5 18.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mtp-105 65.16 20.21 11.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.3 t -87.36 143.12 27.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.783 0.325 . . . . 0.0 110.805 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 p -140.82 26.61 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.219 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.11 126.39 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -69.86 115.34 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.5 mtp -98.45 33.89 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -82.92 -31.88 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -117.91 31.57 6.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.91 -178.92 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.57 170.01 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -9.45 58.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.369 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -79.92 -28.3 39.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -98.17 41.9 1.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -126.63 -56.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -58.54 -31.29 67.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -86.52 -14.52 42.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? 63.0 33.06 15.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.7 p -138.97 145.42 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 p -94.94 176.43 6.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -68.66 -34.95 76.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.57 -29.46 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.241 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.424 ' CD2' HG11 ' A' ' 85' ' ' VAL . 27.9 m80 -106.49 -30.24 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.13 82.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -78.49 -30.85 47.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.58 168.89 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.06 -60.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.53 139.66 49.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.424 HG11 ' CD2' ' A' ' 79' ' ' HIS . 6.3 t -134.83 157.57 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.413 ' CZ ' ' HA2' ' A' ' 89' ' ' GLY . 1.1 t80 -84.41 98.17 9.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mp -115.45 116.56 28.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.61 34.37 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.413 ' HA2' ' CZ ' ' A' ' 86' ' ' PHE . . . 73.84 27.67 66.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.547 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.3 165.12 28.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.806 0.336 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.07 103.51 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -118.26 146.91 43.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 18.9 mtm180 -110.93 132.95 53.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -63.53 120.34 11.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.7 t -103.75 107.29 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.62 -29.39 66.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -31.98 65.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 28.4 m -121.25 3.48 10.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.377 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.0 t 61.65 7.33 1.85 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.42 171.63 8.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.817 0.342 . . . . 0.0 110.74 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -86.07 152.74 22.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.025 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 7.0 m-70 -137.54 133.33 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.8 165.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.5 mt -70.78 -29.99 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.24 15.34 10.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.329 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.7 -34.05 12.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 93' ' ' ARG . 6.3 m-85 -83.04 160.77 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -68.86 -30.92 69.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -174.01 -77.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.46 29.35 5.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.157 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -64.97 112.53 3.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 28.05 3.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -164.42 29.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.281 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.5 -173.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -138.12 25.79 2.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.222 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.07 -36.58 14.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.5 -33.57 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 tp -64.99 -53.32 47.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.266 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.759 0.314 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.93 79.77 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.8 mt -107.77 -30.05 8.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 t -58.32 129.25 41.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -67.84 -30.31 69.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.7 t -64.94 145.35 14.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -90.03 163.33 14.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 61.62 20.59 11.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.428 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -78.27 119.73 22.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 110.753 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.5 p -101.47 -28.82 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.83 136.64 55.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.54 115.31 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.85 29.88 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -90.11 -38.24 13.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -104.01 61.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.28 146.1 26.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.22 172.87 11.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.31 -28.79 68.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -79.94 -30.0 39.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -89.14 -28.12 20.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -80.02 -36.86 35.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -62.67 -49.75 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -77.08 -8.82 58.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.318 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.68 31.41 9.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.838 0.352 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.0 p -131.87 142.97 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.0 p -90.57 172.58 8.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.16 -35.84 82.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.253 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.2 t -58.13 -34.76 50.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.362 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -100.26 -28.12 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.28 -30.47 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -92.7 -35.95 13.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.73 130.39 46.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.4 p -100.68 36.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.27 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.23 157.45 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.416 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 2.3 t80 -101.96 68.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.5 tp -91.97 123.11 35.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.9 m 60.37 32.61 20.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.416 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.35 35.33 90.08 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.445 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.19 154.16 42.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.814 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -84.53 113.48 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -125.8 140.12 52.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -110.89 125.17 53.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.71 93.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 39.5 t -76.97 101.82 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -66.09 -25.56 67.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -40.51 77.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 19.3 m -114.74 10.2 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.285 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.4 t 54.88 14.71 0.95 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -127.19 169.33 13.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.326 . . . . 0.0 110.776 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -86.58 146.9 26.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.043 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -132.17 150.64 52.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.773 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.51 152.32 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.8 tp -57.98 -22.53 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.15 41.26 1.04 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -139.74 25.9 2.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.041 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -150.41 95.35 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.78 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.97 172.32 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.43 -177.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.21 62.69 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.049 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -132.18 148.58 52.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -121.12 37.91 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 m -164.03 177.65 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.36 155.88 11.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.912 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.55 29.13 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -90.14 -43.35 10.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.72 -36.28 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.36 -39.74 84.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -76.88 81.12 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 mt -111.58 -30.39 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.29 131.79 51.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -68.36 -30.62 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 t -61.05 142.77 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -87.67 160.11 18.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 64.2 17.44 10.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.8 t -90.11 105.15 17.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.852 0.358 . . . . 0.0 110.673 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.3 p -98.63 30.03 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.289 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.98 158.27 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -100.26 146.34 27.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 46.0 mtp -135.02 35.22 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -59.83 -40.03 87.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.72 72.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.63 151.04 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 175.63 9.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 mp -72.15 -13.1 61.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.271 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -79.81 -28.55 40.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.743 0.306 . . . . 0.0 111.044 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -98.03 -29.78 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.7 mtp85 -80.06 -33.63 38.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -74.8 -34.59 62.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -92.36 -12.9 31.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.311 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 32.16 12.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.808 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.8 p -134.22 119.02 29.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.8 p -71.91 173.78 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.41 -34.76 76.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.5 t -59.03 -30.07 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.422 ' CD2' HG13 ' A' ' 85' ' ' VAL . 21.5 m80 -105.29 -27.95 11.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.07 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.78 -32.53 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -96.42 -25.58 15.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.17 -22.43 28.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.411 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 70.14 -66.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 p -101.79 128.51 48.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 79' ' ' HIS . 6.1 t -126.77 157.6 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.411 ' CZ ' ' O ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -95.98 82.09 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 tp -98.96 123.35 43.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.013 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m 57.52 24.8 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.411 ' O ' ' CZ ' ' A' ' 86' ' ' PHE . . . 94.36 -36.13 3.9 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.648 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.62 172.09 13.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -107.12 119.75 40.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.714 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.83 138.73 50.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 15.9 mmm-85 -97.28 153.14 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -76.9 110.46 11.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.3 t -91.37 98.9 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -27.22 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -40.78 83.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 25.9 m -113.81 15.98 18.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.288 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t 49.58 19.95 0.44 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -135.25 -178.72 5.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.877 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -95.51 161.17 14.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 8.4 m-70 -145.12 149.03 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -57.34 153.8 11.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.975 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tp -65.97 -26.69 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.009 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -84.36 4.07 32.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.78 -36.67 17.16 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.872 0.368 . . . . 0.0 110.987 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 93' ' ' ARG . 12.9 m-85 -82.21 149.77 27.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.66 126.06 34.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 64.2 -79.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -167.62 34.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -58.81 163.78 3.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.59 25.99 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.8 168.06 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.0 178.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -132.53 29.68 4.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.16 -66.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -106.78 -29.97 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -40.61 84.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.852 0.358 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -115.3 101.23 8.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mt -142.26 22.79 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.93 144.09 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -89.63 -29.82 18.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.982 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.3 t -57.97 143.65 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.218 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -89.99 157.31 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? 61.2 27.33 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.6 t -78.76 129.51 34.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.1 t -113.48 -22.25 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.444 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.63 144.06 56.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -90.69 138.61 31.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.0 mtp -106.42 31.38 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -31.71 50.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -131.17 77.92 1.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.1 155.74 27.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 159.21 18.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -25.86 63.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -79.9 -28.7 39.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -97.65 36.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -120.34 -69.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -57.63 -31.61 66.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -72.76 -20.77 61.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mttt 61.57 46.6 7.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.805 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 p -146.92 144.28 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 29.4 m -80.67 156.3 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -61.72 -40.91 96.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.63 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.75 -30.8 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -83.42 -29.69 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.98 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.99 10.5 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.66 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -150.24 28.8 0.73 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.763 0.316 . . . . 0.0 110.993 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.99 178.08 6.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 -31.18 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 98.4 p -166.61 93.6 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 t -79.91 157.61 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.415 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.9 OUTLIER -93.96 127.35 39.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.26 111.82 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.736 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.15 23.56 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 94.36 -35.02 4.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.693 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tp -79.99 156.38 27.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -79.88 133.65 36.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.18 176.07 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.42 ' CB ' ' CD2' ' A' ' 107' ' ' PHE . 1.3 mmm180 -159.84 161.96 34.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -90.09 141.06 29.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.3 t -116.02 100.79 8.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -26.23 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.799 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -47.88 80.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.9 m -116.51 14.72 15.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.177 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t 46.66 23.3 0.23 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.4 ' HB2' ' CE1' ' A' ' 102' ' ' HIS . 2.5 mtm-85 -110.56 -174.18 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -116.72 105.75 12.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.666 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.4 ' CE1' ' HB2' ' A' ' 100' ' ' ARG . 8.1 m-70 -105.01 159.01 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.039 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -55.85 161.88 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.218 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.88 -25.65 63.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.037 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -26.26 12.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.082 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -79.86 -30.66 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.827 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.42 ' CD2' ' CB ' ' A' ' 93' ' ' ARG . 91.3 m-85 -103.0 29.64 5.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.95 160.41 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 62.55 -80.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.1 -179.22 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm 60.92 113.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.16 35.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.7 -174.38 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.7 175.68 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.808 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -127.46 19.35 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.271 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -67.64 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.943 0.402 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -98.5 -31.44 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -39.42 81.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.745 0.307 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.45 81.77 8.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mt -105.3 -21.71 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -53.25 141.14 24.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -76.64 -32.96 58.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.2 t -65.64 142.43 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.24 161.43 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.21 23.2 13.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.9 t -73.39 116.94 14.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.759 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.2 p -88.32 -30.97 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.88 136.4 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.13 161.25 18.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.26 32.71 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -60.41 -30.86 69.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -130.72 77.77 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.61 154.84 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -101.39 175.04 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.23 -28.18 66.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -79.93 -23.24 41.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -109.57 46.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.915 0.388 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -124.88 -78.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -26.37 61.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -79.0 -27.27 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt 62.21 46.58 6.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.4 p -145.37 151.62 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.3 p -100.53 170.76 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.44 -35.78 81.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.6 t -58.1 -33.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.256 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.411 ' CD2' HG11 ' A' ' 85' ' ' VAL . 19.8 m80 -102.23 -28.8 12.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.2 -30.72 66.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -123.69 39.1 4.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.91 -175.44 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 p -105.72 -32.84 8.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.6 p -169.87 123.49 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.411 HG11 ' CD2' ' A' ' 79' ' ' HIS . 5.7 t -114.66 157.52 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.05 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.4 OUTLIER -102.75 83.27 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 tp -93.34 117.62 30.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.2 t 59.77 33.32 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 68.59 28.1 73.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.547 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.46 165.52 24.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -91.87 115.96 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -137.79 156.26 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -133.57 142.62 48.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.82 99.38 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.59 99.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -25.5 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -50.32 74.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.0 m -109.8 7.66 24.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.264 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.14 13.74 1.29 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.573 0.225 . . . . 0.0 111.575 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.08 -175.79 2.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.741 0.305 . . . . 0.0 110.945 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -111.72 102.37 10.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -103.45 151.29 22.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -63.2 159.71 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.15 -32.06 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -61.32 -24.35 66.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -80.04 -30.77 39.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.99 -38.77 92.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t70 59.93 163.96 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -73.4 -36.07 65.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.94 -48.78 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -86.61 169.03 13.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.3 40.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.69 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.39 -173.06 3.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -96.16 -45.87 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -58.22 124.45 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 75.05 -61.75 0.47 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -43.25 19.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.039 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.848 0.356 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 91.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.6 mt -114.07 -33.5 5.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.29 141.4 46.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -83.39 -30.91 27.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.425 HG12 ' CD2' ' A' ' 79' ' ' HIS . 6.8 t -61.22 145.8 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.069 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.06 161.68 16.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.36 17.8 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.3 t -81.99 132.72 35.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 t -127.37 24.24 6.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.05 165.26 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -95.82 143.14 27.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.8 mtp -139.77 34.49 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -66.68 -36.51 82.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -140.93 76.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.1 -174.04 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.29 161.34 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.37 -23.95 62.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -79.89 -35.51 37.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -85.49 -28.49 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -31.48 39.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -74.59 -37.84 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -86.41 -12.16 49.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.338 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 mttt 63.99 35.29 10.77 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.54 143.76 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.8 p -94.92 173.45 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.88 -36.06 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.7 t -56.69 -30.25 31.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.425 ' CD2' HG12 ' A' ' 56' ' ' VAL . 23.1 m80 -103.51 -27.82 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.72 -30.54 70.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.003 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -112.05 30.6 6.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.99 130.95 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 m -71.28 -31.48 67.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.7 p -158.59 100.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 t -83.57 157.68 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.417 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.6 OUTLIER -106.45 85.87 2.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.17 116.77 32.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 59.54 32.06 21.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.417 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 69.99 27.26 73.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tp -130.96 149.91 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -79.87 116.14 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -134.06 160.7 36.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.29 153.14 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -81.14 115.11 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 99' ' ' SER . 50.3 t -89.68 96.88 10.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -59.18 -25.11 63.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -49.4 77.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.176 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.0 m -108.81 -3.68 17.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.447 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 95' ' ' CYS . 3.1 t 71.17 -2.9 2.21 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -93.77 -174.03 3.33 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.951 0.405 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -113.98 123.19 49.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.728 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -119.1 163.11 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.61 162.8 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 tp -75.65 -28.57 58.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -21.36 47.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -79.84 -27.81 40.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -103.11 43.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -129.45 36.21 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.95 -157.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.542 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -91.07 38.34 0.96 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.833 0.349 . . . . 0.0 111.223 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -151.1 87.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.24 54.64 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.971 0.415 . . . . 0.0 110.987 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m 179.66 54.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.98 -174.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.974 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.23 -34.14 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 20.7 ttm180 -59.76 130.38 46.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 116' ' ' ARG . 1.1 mmm180 68.34 -63.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.29 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -43.7 17.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.132 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -94.24 88.98 5.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mt -133.02 21.57 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.069 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -85.16 128.49 34.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -60.28 -35.89 76.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.738 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.7 t -62.7 124.41 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.059 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -78.98 159.64 27.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? 63.22 22.55 13.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.33 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.6 t -85.24 132.95 34.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.695 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -120.28 28.6 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.516 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.12 137.25 32.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.49 120.33 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.2 mtp -106.63 38.12 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -59.49 -34.38 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -133.83 79.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.77 169.17 9.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.57 166.4 17.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.74 -17.98 64.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.256 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -79.9 -28.86 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -97.59 -28.87 13.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -80.11 -31.2 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -75.25 -51.28 13.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.036 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -73.21 -8.68 56.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.415 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mttm 63.27 46.49 4.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.907 0.384 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.72 158.77 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 27.7 m -96.0 148.94 22.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.033 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.74 -32.66 71.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.469 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.9 t -75.46 -32.5 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.765 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -81.54 -28.51 33.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.78 96.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.208 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.25 45.98 2.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.96 175.9 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.85 73.41 2.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 p 62.98 109.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 t -90.8 157.62 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.423 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 5.3 t80 -90.77 89.33 7.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 tp -112.03 124.72 53.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.64 20.34 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.261 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 93.41 -38.31 3.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.725 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.05 167.76 18.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.994 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -87.95 113.21 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -123.33 123.8 41.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -105.1 171.6 7.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -88.66 158.03 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.4 t -131.64 94.47 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.648 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -23.44 27.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.26 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -54.13 49.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.171 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.8 m -105.46 -4.68 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.452 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t 69.61 -1.0 2.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.36 -171.23 2.59 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -110.04 128.96 55.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -127.29 147.56 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.019 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -64.68 166.58 8.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.068 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.69 -31.93 63.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -25.59 65.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.8 -30.85 40.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -82.11 149.56 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -162.88 175.01 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 60.52 176.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.65 -31.14 69.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -78.44 123.99 27.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 52.98 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.51 175.58 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 161.19 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.067 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -29.9 24.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 132.34 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 77.18 -59.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.978 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.34 -58.47 6.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.081 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.55 -58.43 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 108.12 107.75 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -28.13 41.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.9 156.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.49 -71.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 60.24 179.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -130.18 159.0 38.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -130.61 -56.14 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -110.91 165.78 11.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.4 m -113.15 157.88 21.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.3 m -88.32 139.97 29.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -173.47 -127.85 1.02 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.542 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.887 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.789 0.328 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -99.83 82.68 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 mt -109.73 -22.44 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.2 t -53.67 126.89 23.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.893 0.377 . . . . 0.0 111.119 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -66.7 -31.23 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.49 115.95 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.08 154.46 41.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 60.76 29.55 19.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.97 148.65 44.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.1 p -110.16 -32.86 6.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.2 137.93 58.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -92.21 135.25 34.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mtp -106.54 36.23 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -65.47 -34.92 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -142.22 83.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.15 176.98 6.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.19 172.86 8.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -31.21 69.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -80.82 -29.69 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -98.16 32.5 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -125.99 -51.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -66.07 -33.3 75.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -89.31 -25.43 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt 65.45 55.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.806 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 p -143.52 141.54 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.0 m -73.11 152.69 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.92 -33.87 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.608 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.7 t -78.81 -30.87 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.775 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.418 ' CD2' HG12 ' A' ' 85' ' ' VAL . 6.2 m170 -83.02 -28.99 29.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.68 -56.38 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -100.51 41.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.53 177.06 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.1 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.37 -29.89 9.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -172.23 102.8 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.418 HG12 ' CD2' ' A' ' 79' ' ' HIS . 5.9 t -96.75 157.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.407 ' CE1' ' O ' ' A' ' 89' ' ' GLY . 5.1 t80 -96.04 105.98 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.3 122.01 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 59.02 25.6 14.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 86' ' ' PHE . . . 90.44 -46.48 3.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.664 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.89 164.56 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.387 . . . . 0.0 110.951 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -80.03 145.24 32.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -150.67 161.45 42.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 3.3 mmm180 -139.33 147.06 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.02 128.54 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.006 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.8 t -110.3 97.21 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -28.73 67.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -48.1 77.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 6.8 m -111.18 20.55 17.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.246 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 t 44.27 25.12 0.1 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -135.83 -173.59 3.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -106.79 156.11 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 19.2 m-70 -140.46 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -68.1 148.57 50.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.9 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -22.05 64.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.127 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.86 -41.26 26.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 93' ' ' ARG . 75.3 m-85 -76.58 159.5 30.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -172.93 -178.47 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -60.34 -178.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.32 -78.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -107.12 146.31 31.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.54 44.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -146.23 56.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.43 164.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -126.31 23.88 6.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -90.14 -70.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.24 -30.87 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -43.99 92.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.27 100.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -92.19 118.12 5.45 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -63.58 119.91 10.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.771 0.319 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.58 85.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.808 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -158.29 -179.86 8.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -142.58 -49.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.18 92.81 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -149.36 -68.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -116.19 -36.27 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.39 100.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 48.2 t -87.7 -71.19 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 136.22 -97.63 0.27 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.929 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.812 0.339 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -100.34 82.2 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -110.79 -25.89 9.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -54.71 123.18 12.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.864 0.364 . . . . 0.0 110.998 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -60.28 -30.99 69.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 t -62.56 143.42 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.02 160.94 16.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 62.08 23.09 13.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.363 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.2 t -84.94 108.48 17.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.7 p -104.41 31.0 4.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.34 -171.91 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -121.3 109.09 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.3 mtp -98.94 30.96 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -75.65 -54.26 7.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.753 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -101.84 46.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.1 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -85.46 164.95 17.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -21.5 64.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 85.3 t80 -79.94 -53.43 6.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.352 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -62.35 -29.45 70.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.06 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -79.95 -30.99 39.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -48.74 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.409 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 45.0 m-70 -79.47 -3.06 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.493 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mttt 61.49 43.38 10.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.003 0.43 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.9 p -147.4 147.71 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.9 p -97.23 171.57 8.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -68.82 -33.39 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.9 -29.71 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.405 ' CD2' HG12 ' A' ' 85' ' ' VAL . 18.5 m80 -105.52 -30.72 9.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.79 -31.65 68.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -115.02 29.56 7.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.12 178.13 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -104.36 -32.62 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.7 p -162.75 141.0 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.405 HG12 ' CD2' ' A' ' 79' ' ' HIS . 5.9 t -133.31 157.44 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.051 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.408 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.9 OUTLIER -104.67 84.69 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 mt -98.62 121.64 40.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m 59.76 42.42 16.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.408 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 60.76 26.71 65.43 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.496 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 tp -139.9 148.08 41.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -80.37 123.74 28.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -142.27 148.06 37.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -113.31 160.64 18.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -82.15 112.98 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.015 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.4 t -87.71 105.98 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.665 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -23.0 66.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -39.63 90.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.6 m -117.45 17.74 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.393 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t 45.69 23.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -135.09 173.21 11.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.805 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -85.49 154.97 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.08 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -142.42 168.9 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.4 148.37 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.6 tp -69.14 -13.67 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.362 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -90.12 17.92 6.46 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.486 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -107.16 -30.8 8.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -102.6 152.82 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.53 162.83 38.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.009 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.16 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.983 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.56 41.19 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.4 97.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.07 27.39 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 m 60.74 175.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.41 178.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.38 23.35 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -90.0 -66.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -91.37 -30.44 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -50.77 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.33 97.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -70.48 66.19 0.77 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -122.47 94.18 4.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -105.62 164.13 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -117.01 77.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.5 -47.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.18 132.02 53.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.94 78.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.74 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.46 54.17 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.91 82.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.974 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.8 m -104.88 -60.43 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 139.22 -28.55 2.58 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.975 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -82.31 102.37 11.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 mt -142.18 23.6 2.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.79 131.86 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -67.67 -29.62 68.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.426 HG13 ' CD2' ' A' ' 79' ' ' HIS . 10.8 t -65.32 144.94 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -90.07 161.24 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.033 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 58' ' ' ARG . 12.4 mtm105 61.85 22.62 13.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.5 t -86.21 127.89 34.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.8 p -140.44 29.43 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.93 160.09 16.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.86 115.47 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.84 32.01 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.45 -47.39 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.16 56.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.99 156.17 27.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -175.05 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.11 -26.47 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -79.96 -29.54 39.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -98.63 33.67 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.59 -78.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -58.16 -26.57 62.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -77.22 -22.12 52.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.2 mttm 62.33 44.9 7.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 p -146.41 140.99 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -91.1 173.74 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.63 -29.39 67.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.179 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.51 -29.67 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.278 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.426 ' CD2' HG13 ' A' ' 56' ' ' VAL . 16.4 m80 -104.57 -30.26 10.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.981 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.64 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.18 33.45 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.42 147.14 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -51.34 24.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.0 p -159.26 113.67 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.403 HG11 ' CD2' ' A' ' 79' ' ' HIS . 4.7 t -98.02 157.12 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -97.04 96.33 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.5 tp -114.89 128.48 56.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t 61.09 32.52 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.18 29.88 73.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.16 158.5 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.819 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -80.1 125.03 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -140.43 119.43 12.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.45 ' CG ' ' CE2' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -89.84 160.0 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -79.03 113.46 17.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.6 t -84.25 106.18 15.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.664 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.0 -15.2 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.299 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.92 -36.94 67.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.667 0.27 . . . . 0.0 111.301 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.0 m -122.18 -0.74 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.519 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.76 3.27 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -96.33 -170.18 2.05 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -115.69 119.89 37.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -118.35 158.08 25.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.42 161.19 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.025 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.39 -28.59 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.16 16.4 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.445 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -109.78 31.08 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.936 0.398 . . . . 0.0 110.949 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.45 ' CE2' ' CG ' ' A' ' 93' ' ' ARG . 97.6 m-85 -140.69 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.52 153.74 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -34.58 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.25 -45.8 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -95.81 128.47 42.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -98.35 33.86 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -131.44 168.76 17.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.22 176.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.965 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -130.28 17.0 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.38 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -90.12 -36.02 15.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.69 -31.86 7.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -43.81 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -82.9 -44.61 15.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.73 110.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -93.22 101.83 14.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -80.79 88.13 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -74.52 121.55 21.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -161.0 161.48 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -108.33 128.49 54.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.03 124.41 44.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -92.27 154.98 18.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.21 108.8 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.7 m 60.59 177.58 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 105.71 -137.2 13.64 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.834 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.74 0.305 . . . . 0.0 111.276 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -111.19 82.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 mt -94.8 -28.36 15.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.174 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.6 t -57.55 139.34 53.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -76.94 -31.49 56.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 t -60.77 145.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -90.01 160.3 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.02 20.32 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.316 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.7 t -90.1 124.28 34.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.81 0.338 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -111.78 29.63 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.98 152.5 21.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.071 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.42 130.07 46.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 43.3 mtp -125.79 37.62 4.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -59.93 -42.71 94.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -136.96 74.24 1.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.7 -175.83 3.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -79.51 164.2 24.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.41 -18.06 63.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.204 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.439 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 86.5 t80 -79.97 -38.77 31.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.777 0.322 . . . . 0.0 110.956 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -77.96 -28.87 49.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.066 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -80.0 -31.17 39.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 -76.12 -31.36 58.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.439 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 21.6 m-70 -94.81 -9.42 34.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.405 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 mttp 61.59 42.56 10.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.9 p -145.07 143.93 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.0 p -92.57 169.0 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.34 -34.58 78.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.1 t -58.99 -38.14 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.357 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.414 ' CD2' HG13 ' A' ' 85' ' ' VAL . 23.2 m80 -96.77 -30.26 13.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.39 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.73 31.45 6.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.94 174.36 7.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.5 t -102.82 -30.75 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.8 p -165.49 118.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.414 HG13 ' CD2' ' A' ' 79' ' ' HIS . 5.9 t -104.95 157.57 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' A' ' 89' ' ' GLY . 0.5 OUTLIER -101.59 85.98 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.804 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.22 117.85 33.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.5 m 58.73 23.42 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.401 ' O ' ' CE1' ' A' ' 86' ' ' PHE . . . 95.21 -28.6 11.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.592 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.04 149.52 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -80.26 117.08 20.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -120.36 147.46 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.429 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 2.1 tpp180 -114.62 144.87 42.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.785 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -70.16 108.84 4.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 48.7 t -92.34 101.05 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -65.03 -26.31 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -41.69 80.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.994 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.1 m -113.96 13.57 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.306 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t 52.11 17.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -131.26 176.64 8.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.76 0.314 . . . . 0.0 110.911 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -92.87 155.34 17.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.145 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 9.2 m-70 -141.37 166.27 25.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.765 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.48 150.15 47.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.731 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tp -58.53 -30.64 67.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -65.38 -17.01 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -96.72 34.06 1.74 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' A' ' 93' ' ' ARG . 84.2 m-85 -148.59 119.3 7.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.12 165.93 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -63.94 -33.65 76.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.92 -46.7 5.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 137.41 49.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 40.68 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.708 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.463 ' HB2' ' HG ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -141.1 -166.45 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.91 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -169.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.698 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.17 -28.9 9.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.952 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.98 127.58 33.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.62 -60.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.25 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.463 ' HG ' ' HB2' ' A' ' 113' ' ' SER . 0.1 OUTLIER -46.7 -49.01 20.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.259 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.0 -168.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -126.24 -96.35 1.01 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.395 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -123.31 109.77 14.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -74.82 177.09 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -138.66 95.49 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -118.22 -56.18 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -133.41 29.84 3.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.49 143.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 166.68 19.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.9 p -61.53 115.28 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.3 p -123.03 -42.59 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -56.28 136.05 49.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.634 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.864 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.803 0.335 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 90.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.4 mt -112.08 -28.02 8.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 t -56.07 129.52 40.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.01 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.34 -26.07 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.404 HG13 ' CD2' ' A' ' 79' ' ' HIS . 10.0 t -57.53 143.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.178 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -86.78 160.68 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 21.64 12.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.304 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.2 t -89.43 142.55 27.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.878 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.4 p -142.15 25.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.08 122.7 33.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -63.55 112.33 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.0 mtp -98.15 35.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -70.99 -31.33 67.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -110.31 41.56 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.93 178.61 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.63 -179.32 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.007 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.68 -22.68 67.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -79.87 -29.15 39.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.02 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -97.95 -29.13 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -79.98 -47.18 15.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -59.55 -41.93 91.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -82.99 -11.76 57.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.272 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.3 mttp 61.13 42.03 12.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.919 0.39 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -146.21 144.49 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 p -95.81 176.28 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.58 -31.27 69.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.126 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.3 t -61.92 -28.44 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.362 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.41 ' CD2' HG12 ' A' ' 85' ' ' VAL . 34.7 m80 -110.19 -29.9 7.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -33.89 72.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -86.12 -40.12 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.38 70.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.52 -67.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.8 p -77.27 106.09 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.41 HG12 ' CD2' ' A' ' 79' ' ' HIS . 7.1 t -121.85 157.52 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -88.78 90.62 8.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -116.53 133.88 55.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.795 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.4 m 60.34 39.6 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.81 27.98 65.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.46 166.68 30.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -86.82 115.72 24.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -121.79 162.99 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -126.28 155.52 41.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.787 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -75.14 124.71 27.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 50.9 t -106.03 99.75 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.814 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -26.13 67.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -44.35 94.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.019 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.0 m -111.52 15.47 21.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.474 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 t 50.67 18.63 0.5 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -132.84 -178.59 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.779 0.323 . . . . 0.0 110.758 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -95.8 159.39 15.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.168 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 9.2 m-70 -144.34 160.36 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -63.27 158.76 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.66 -15.78 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.274 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.18 18.81 5.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.379 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -111.42 -33.99 6.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.763 0.316 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 21.7 m-85 -89.85 160.57 16.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.93 165.23 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.03 -31.32 69.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.2 -54.21 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -71.26 134.6 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.801 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -117.36 42.65 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.16 -167.06 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.99 157.67 20.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.4 mtm105 -81.72 -27.96 33.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.72 135.32 49.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.742 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 71.6 -63.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.89 -61.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.95 120.9 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 103.26 88.68 2.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -121.18 -66.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -102.95 123.25 46.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.0 -39.21 5.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.03 87.88 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -93.01 96.07 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.61 102.91 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -130.61 -178.46 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.2 m -119.21 39.71 3.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.25 129.84 41.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 136.74 -77.52 0.35 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.56 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.846 0.355 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.36 74.57 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.64 -29.32 7.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.26 122.88 12.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -60.01 -28.76 67.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.41 HG13 ' CD2' ' A' ' 79' ' ' HIS . 4.1 t -64.19 145.78 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.12 160.24 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.89 19.48 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.288 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.9 t -90.06 138.29 31.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.1 t -137.17 35.78 2.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.206 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.08 148.95 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -89.98 119.53 30.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.3 mtp -108.07 32.51 4.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -75.12 -34.25 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -124.38 55.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.51 174.47 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -84.88 167.91 15.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -20.48 64.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -79.82 -43.39 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -74.13 -25.26 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -79.93 -44.5 20.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 ttm-85 -59.07 -50.32 74.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -73.48 -12.1 60.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.335 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp 61.7 53.48 3.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 p -154.39 148.11 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.5 p -93.71 158.57 15.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.85 -32.84 72.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.275 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.12 -42.77 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.45 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.41 ' CD2' HG13 ' A' ' 56' ' ' VAL . 17.8 m80 -90.2 -29.4 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.979 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.55 -29.21 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.66 40.22 3.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.72 -30.22 18.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m 69.59 10.23 7.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.476 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 p -179.64 113.56 0.05 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.685 0.279 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.9 t -131.22 156.7 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.201 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.405 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.3 t80 -99.64 92.36 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tp -107.06 111.25 23.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.47 35.68 24.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.405 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 73.05 26.79 69.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.73 149.27 43.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -79.95 122.71 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -132.84 161.79 33.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.435 ' HB2' ' CE1' ' A' ' 107' ' ' PHE . 37.6 mtp180 -130.7 151.69 50.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.795 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -76.14 109.0 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 46.7 t -92.58 101.18 13.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -63.79 -26.97 68.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -59.09 -41.79 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.066 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.9 m -113.61 16.51 18.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.405 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t 49.26 20.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -134.73 -177.41 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.698 0.285 . . . . 0.0 110.778 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -99.47 159.98 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.191 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -143.34 178.91 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.16 150.34 45.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.05 -21.29 58.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.3 50.36 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.975 0.417 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -155.4 26.55 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 93' ' ' ARG . 25.9 m-85 -155.08 64.08 0.64 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.702 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -178.2 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.069 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.46 -33.28 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.51 -56.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 146.07 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -107.04 35.05 3.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 m -152.88 -59.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.11 179.36 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.818 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.62 26.65 5.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -54.32 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.5 ttm105 -111.88 -33.86 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.3 tp -58.66 -38.61 78.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.38 -30.65 69.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 103.04 -99.28 1.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -121.68 123.3 41.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -106.35 56.46 0.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -162.48 128.57 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -110.88 126.7 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.78 -169.01 1.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 62.38 152.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.976 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -65.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.59 126.37 10.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.0 p -111.79 129.97 55.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 138.51 -69.21 0.49 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.784 0.326 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -144.67 77.06 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 mt -108.74 -28.14 9.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.1 t -56.86 132.33 52.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.085 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -81.64 -25.83 35.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.88 123.88 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.201 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.74 157.21 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.95 25.99 15.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.7 t -74.44 133.64 42.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.829 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 p -132.04 28.51 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.263 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.93 179.76 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.011 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -108.0 121.94 45.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.3 mtt -120.29 31.09 6.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -65.09 -43.02 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -136.33 80.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.19 161.68 17.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -79.25 175.91 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -25.28 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.441 ' CZ ' ' NE2' ' A' ' 73' ' ' HIS . 73.9 t80 -79.89 -52.82 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -64.46 -18.47 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.91 -32.56 40.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -46.11 60.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.441 ' NE2' ' CZ ' ' A' ' 69' ' ' TYR . 77.9 m-70 -80.0 -25.58 40.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.62 53.97 1.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.957 0.408 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 p -150.94 138.6 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.5 m -72.35 160.58 32.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -62.23 -32.02 72.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 t -76.53 -30.8 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.416 ' CD2' HG12 ' A' ' 85' ' ' VAL . 31.4 m170 -89.86 -22.96 21.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.16 -44.06 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.244 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.05 26.43 4.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.08 155.63 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 p -85.53 -31.51 22.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.71 106.22 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG12 ' CD2' ' A' ' 79' ' ' HIS . 6.1 t -96.65 157.59 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.015 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.423 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 2.1 t80 -90.05 79.18 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.0 122.7 41.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.14 32.78 21.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.98 27.4 73.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.623 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.43 -173.85 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -114.09 110.87 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -138.14 145.66 41.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 107' ' ' PHE . 12.3 ttm-85 -111.94 136.03 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.2 112.09 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.61 98.17 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.43 -26.68 68.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.71 72.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.027 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.6 m -119.34 12.99 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.343 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 t 54.35 15.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -129.91 178.62 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.83 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -95.88 156.7 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -141.67 154.05 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.1 154.3 27.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.83 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.21 -27.58 64.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -73.45 -8.29 55.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -96.32 29.8 2.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 35.9 m-85 -145.0 68.07 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -58.87 142.64 50.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.026 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 58.57 -177.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.43 65.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.044 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -125.78 124.78 41.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.3 mtt85 -97.1 40.49 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.96 171.37 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.16 -172.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -138.14 27.84 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.232 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -90.05 -66.34 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.048 0.452 . . . . 0.0 110.894 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -103.55 -29.5 11.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -39.83 79.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.72 -169.28 0.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.62 -159.44 26.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.533 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.68 160.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -128.57 179.11 5.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -108.68 -38.15 5.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.72 40.99 15.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.764 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.0 -53.58 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.48 -49.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -120.85 131.44 54.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.08 86.54 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.5 t -169.47 142.36 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -172.21 33.86 0.13 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.615 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.45 88.07 7.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 mt -138.0 22.92 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.27 134.3 33.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -65.58 -30.47 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 t -69.45 144.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.93 159.85 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.001 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 61.51 25.12 15.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.331 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.0 t -81.6 101.55 10.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.346 . . . . 0.0 110.751 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 p -98.45 27.24 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.07 159.7 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -99.13 118.52 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.33 31.05 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -31.4 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -121.99 68.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.79 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.72 -175.84 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -110.31 -179.89 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.6 mt -71.95 -19.7 61.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.161 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -79.89 -54.76 5.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.979 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.412 ' CE1' ' HB2' ' A' ' 77' ' ' GLU . 10.0 m170 -63.94 -27.73 69.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -87.4 6.78 32.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.422 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 -32.19 8.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -98.91 9.06 44.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.43 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.58 35.04 24.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 p -138.48 148.95 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.5 p -95.51 174.23 7.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.821 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 21.0 tt0 -69.26 -29.23 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.63 -28.55 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.416 ' CD2' HG13 ' A' ' 85' ' ' VAL . 17.6 m80 -105.88 -30.35 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.095 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.87 82.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -111.93 31.47 6.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.9 170.75 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.18 -31.65 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.5 p -151.09 136.06 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG13 ' CD2' ' A' ' 79' ' ' HIS . 6.0 t -141.88 157.42 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.43 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.5 t80 -99.89 126.4 46.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.87 118.32 7.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.6 m 59.66 32.34 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 70.81 34.87 66.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.99 142.57 21.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.764 0.316 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -79.97 136.39 36.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -140.21 -177.75 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -142.79 151.89 41.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -80.86 96.11 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 35.7 t -82.0 103.08 11.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -65.68 -28.8 69.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -40.17 69.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.2 m -115.22 10.35 15.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.353 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.8 t 52.58 16.99 0.72 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -129.45 173.64 10.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.767 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -85.25 156.58 20.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -143.71 159.51 42.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.74 149.3 47.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.27 -23.24 65.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -89.99 14.88 11.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.34 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -108.75 27.85 9.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.778 0.323 . . . . 0.0 111.029 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -147.33 59.71 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.01 158.63 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.99 -171.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.78 51.98 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -113.42 120.27 40.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -93.84 47.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.69 -173.17 4.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.48 169.46 11.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.0 ttp85 -107.64 24.9 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.316 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -43.85 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.042 0.449 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.08 -33.58 6.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.002 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -35.83 75.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.26 21.01 4.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.416 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -62.28 -28.64 71.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.377 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -66.28 -30.39 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 110.79 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.74 177.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.8 172.47 12.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.68 36.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -76.5 -175.39 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -107.39 -57.87 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -111.95 107.1 15.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -34.68 78.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 m -69.49 147.79 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.72 84.81 1.83 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.919 179.903 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -73.93 92.17 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.8 mt -117.5 -37.2 3.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.88 142.5 41.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -77.75 -34.39 52.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.8 t -60.15 142.62 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.15 158.71 19.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.82 22.21 12.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.318 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.1 t -89.95 111.15 22.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.814 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 t -103.45 31.03 4.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.91 132.46 35.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.68 109.45 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.1 mtp -101.89 31.3 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.964 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -84.93 -31.34 23.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -118.23 50.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.36 151.09 22.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 169.71 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.73 -15.42 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.278 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -79.82 -30.26 40.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -101.47 32.3 3.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -117.51 -66.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -26.47 39.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -76.55 -18.53 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm 63.06 31.21 16.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.6 p -144.77 137.34 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.997 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -88.8 173.02 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -67.08 -29.58 69.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.212 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.58 -28.66 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.38 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.428 ' CD2' HG13 ' A' ' 85' ' ' VAL . 22.9 m80 -106.62 -30.68 8.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.052 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.39 -38.68 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.01 -20.89 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.8 131.24 35.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.861 0.363 . . . . 0.0 111.254 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -67.11 -30.22 70.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.1 p -157.92 139.02 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.428 HG13 ' CD2' ' A' ' 79' ' ' HIS . 6.0 t -125.81 157.44 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.3 OUTLIER -98.92 81.01 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.703 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 tp -89.38 111.61 22.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.35 31.03 20.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 76.34 46.54 12.23 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.88 150.72 22.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.82 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -81.27 120.14 24.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -136.4 163.04 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.403 ' O ' ' CD2' ' A' ' 101' ' ' PHE . 8.3 ttm180 -134.99 165.69 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -90.09 116.24 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 50.4 t -93.5 102.57 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.41 -28.2 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -41.5 86.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 27.4 m -113.49 12.86 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.434 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.1 t 52.12 17.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -130.6 -179.59 5.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.812 0.339 . . . . 0.0 110.771 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 93' ' ' ARG . 5.2 m-85 -93.1 158.45 15.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.06 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -144.39 145.97 32.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -58.93 156.69 11.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -25.36 65.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -6.92 51.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.376 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -79.88 -33.9 39.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.37 161.1 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.8 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.2 -38.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -52.4 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.7 -29.68 28.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.387 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -64.31 108.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -93.09 48.39 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.13 -168.71 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.84 139.77 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.83 22.06 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -90.17 -66.34 0.93 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.973 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -100.52 -31.7 11.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -42.45 92.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.85 -73.1 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -86.15 87.57 1.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.423 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -99.9 -28.49 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 60.88 165.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -143.87 146.56 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 -99.69 93.76 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.8 mmm-85 60.82 178.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.16 143.33 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 117.2 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.7 t -158.28 37.19 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.87 -179.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 173.72 145.4 5.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.542 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.882 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -134.01 57.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mt -106.9 24.72 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.998 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.8 t -73.31 135.65 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -69.98 -33.61 72.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.66 141.29 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.05 157.82 17.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 60.83 26.23 16.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.3 t -80.45 145.31 31.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.6 p -151.38 24.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.96 155.53 19.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -68.97 124.86 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -133.16 30.08 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -48.94 60.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -153.34 84.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.08 -79.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.85 154.76 20.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -27.23 17.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -79.93 -29.13 39.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -98.53 29.48 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -112.12 -70.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -52.65 -31.11 35.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -82.13 -26.26 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.995 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt 60.72 47.52 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -133.23 153.78 38.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.7 m -90.73 150.63 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.21 -33.21 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.633 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.4 t -76.25 -31.28 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -85.47 -28.0 25.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.14 -44.12 48.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -101.59 35.55 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.03 144.82 25.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -33.6 72.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.779 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.5 p -170.86 108.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.3 t -100.05 157.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.029 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.406 ' CZ ' ' HA2' ' A' ' 89' ' ' GLY . 4.0 t80 -81.83 117.05 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 tp -144.43 118.46 9.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 t 58.68 26.3 14.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.406 ' HA2' ' CZ ' ' A' ' 86' ' ' PHE . . . 90.91 -45.83 2.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.777 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.95 164.55 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.973 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -86.72 129.88 34.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.761 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -131.47 155.78 46.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.973 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.38 158.6 32.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -74.77 133.93 41.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' SER . 42.7 t -114.39 103.88 11.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.79 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -67.05 -14.85 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.26 -39.56 71.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.746 0.307 . . . . 0.0 111.294 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.1 m -120.0 -3.43 10.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.446 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 95' ' ' CYS . 0.4 OUTLIER 67.57 1.31 2.52 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.657 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -96.4 -169.82 1.97 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.3 126.39 54.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -122.05 153.44 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.021 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -54.39 164.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.45 -11.01 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.353 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.22 19.79 4.83 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.702 0.287 . . . . 0.0 111.462 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.37 30.53 4.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -141.89 107.11 4.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.805 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.72 163.98 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.16 -70.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.49 74.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -81.75 166.27 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -149.39 43.38 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.8 m -152.54 179.94 8.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -173.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -139.53 15.48 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.284 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -90.11 -35.67 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 110.782 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 -33.72 6.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -47.96 67.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.02 101.6 11.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -77.05 134.69 15.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.563 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -103.66 35.9 2.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.812 0.339 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -100.97 144.61 29.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -85.01 161.91 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 121.25 25.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -74.29 -169.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -104.86 -71.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.66 -175.96 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.34 -66.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.1 t -109.88 -51.92 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.78 -111.7 3.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.427 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.861 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.743 0.306 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -67.48 98.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mt -136.41 22.3 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.9 t -83.18 132.65 35.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.783 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' OE1' ' CD1' ' A' ' 101' ' ' PHE . 1.8 pt20 -57.9 -29.43 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.7 t -74.98 142.34 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -88.54 159.11 18.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.0 25.22 15.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.295 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.1 t -86.31 127.68 34.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.769 0.319 . . . . 0.0 110.747 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.25 -26.8 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.22 120.26 7.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.231 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -78.27 144.88 35.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.6 mtp -102.05 32.3 3.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -77.18 -32.23 55.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -118.82 37.69 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.98 172.03 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -100.2 164.69 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.54 -26.97 68.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -79.96 -29.7 39.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -90.49 0.37 57.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.409 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.58 -63.23 1.28 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.914 0.388 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -54.93 -26.49 36.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -82.8 -19.0 38.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 mttp 64.77 30.34 12.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.38 141.08 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.7 p -88.51 167.67 13.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -34.32 76.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.85 -39.13 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.353 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.423 ' CD2' HG12 ' A' ' 85' ' ' VAL . 21.2 m80 -95.22 -30.62 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.85 -30.04 70.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -98.97 -27.06 14.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.53 141.92 35.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.246 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -73.93 -59.53 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.3 p -115.63 157.33 24.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.423 HG12 ' CD2' ' A' ' 79' ' ' HIS . 6.4 t -148.78 157.52 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.42 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.4 OUTLIER -97.78 83.04 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.3 112.63 24.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 p 58.35 34.38 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.42 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 72.24 27.68 69.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 tp -132.32 148.91 52.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -84.47 115.62 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -140.04 165.5 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.425 ' HD3' ' CE1' ' A' ' 107' ' ' PHE . 6.4 mtp-105 -134.03 136.14 43.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.46 111.57 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.01 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 46.2 t -96.52 100.66 12.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.779 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.82 -27.59 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.99 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -43.95 88.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.8 m -109.86 15.05 22.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.336 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.8 t 51.06 18.31 0.54 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -134.97 176.61 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 12.2 m-85 -91.02 160.13 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -141.95 140.5 32.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -57.58 162.78 2.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -27.1 62.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -4.09 43.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.508 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -79.97 -34.51 38.61 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.743 0.306 . . . . 0.0 110.793 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.425 ' CE1' ' HD3' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -146.86 159.62 43.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.71 37.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.34 -173.38 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.15 -28.82 28.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.212 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -65.07 155.23 35.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.756 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -149.73 33.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -154.27 49.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.66 176.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.59 -33.6 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -59.16 124.38 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 74.61 -61.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.83 -46.62 31.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.275 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.43 93.24 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -161.26 74.85 0.19 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -140.09 -47.71 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.945 0.402 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -131.28 136.39 48.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -130.89 163.11 28.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -108.55 -31.35 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.974 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.4 ' N ' ' HG2' ' A' ' 124' ' ' ARG . 3.0 mtt180 56.29 -176.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -159.84 89.38 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.78 139.76 43.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 m -111.9 40.28 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 m -65.93 161.14 21.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -155.11 111.92 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.901 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.17 83.11 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mt -134.14 20.13 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -78.6 122.14 25.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.972 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -60.05 -30.55 69.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 t -63.78 120.2 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.42 159.96 29.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 61.92 22.81 13.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.3 t -78.12 128.91 34.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.805 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.9 p -118.26 24.99 10.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.441 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.13 -165.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -139.39 155.88 47.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -152.64 31.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.68 -35.99 60.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -116.98 41.89 2.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.0 -173.53 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.49 179.03 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.88 -22.91 55.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -80.03 -35.87 36.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -80.56 -26.92 37.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -80.01 -33.25 39.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -68.31 -41.72 80.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -86.05 -15.9 39.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.313 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.52 53.86 3.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.005 0.431 . . . . 0.0 110.948 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.5 p -144.1 139.4 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.017 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.0 m -73.96 151.47 40.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.041 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.08 -39.7 95.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.466 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.91 -31.53 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.925 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -83.11 -27.71 29.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.21 -52.09 45.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -101.32 36.34 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.75 165.3 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -87.81 -35.92 17.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.9 p -171.29 104.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.1 t -87.27 157.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.423 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.5 OUTLIER -96.28 125.57 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.68 109.04 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 m 59.6 39.28 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.77 27.11 73.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.466 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tp -137.42 148.95 46.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.773 0.32 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -82.19 127.07 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.31 164.56 27.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.439 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 8.7 tpp85 -133.24 156.03 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -81.9 125.12 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.2 t -103.94 96.14 6.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.68 -26.93 64.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -42.31 89.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.7 m -113.11 16.96 19.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.426 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 t 49.35 20.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -135.68 178.25 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.78 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -94.79 160.27 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.158 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -143.69 178.75 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.954 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.86 141.61 49.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.802 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.15 -33.48 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -62.16 -24.23 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -79.97 -16.61 54.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.286 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 93' ' ' ARG . 5.4 m-85 -96.01 37.06 1.25 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.83 0.347 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -98.22 167.35 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 60.35 -176.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.73 -30.17 31.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.269 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -67.65 102.53 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 42.5 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.7 m -147.44 -79.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.4 t -165.95 172.81 11.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.947 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -121.43 21.97 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -68.29 0.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.985 0.421 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -107.07 -27.92 10.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -40.59 76.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.99 118.56 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 109.85 -47.16 1.07 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.402 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.0 -72.97 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.768 0.318 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 68.75 -70.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -70.56 121.32 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.72 -66.97 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -164.14 32.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 60.03 104.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -143.87 -52.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.8 t -86.96 135.83 33.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.6 m -107.18 -47.68 3.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 82.43 -68.92 3.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.963 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.77 0.319 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -141.44 79.21 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.09 24.03 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.8 t -88.4 124.23 33.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -65.58 -30.47 71.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.47 137.84 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.04 158.5 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.76 25.46 15.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.211 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.38 137.68 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.338 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.1 t -113.83 -22.73 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.01 131.22 50.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -84.56 138.17 32.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.817 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.1 mtp -103.07 41.83 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -72.78 -55.31 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -92.48 52.38 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.66 140.65 29.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 165.14 22.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mp -54.75 -24.84 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 80.2 t80 -79.88 -39.9 29.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.801 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -76.36 -25.33 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -45.52 18.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -60.13 -48.05 83.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.402 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 14.8 m-70 -77.85 -20.06 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 63.69 62.38 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.861 0.362 . . . . 0.0 110.667 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.9 p -155.49 136.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 33.2 m -67.69 159.89 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.68 -39.13 90.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.589 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -73.21 -30.32 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.928 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.415 ' CD2' HG13 ' A' ' 85' ' ' VAL . 11.1 m170 -85.1 -27.16 26.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.013 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.02 12.74 16.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.653 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.48 28.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.09 -170.64 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.74 -31.16 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.77 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 p -172.66 109.0 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.415 HG13 ' CD2' ' A' ' 79' ' ' HIS . 5.6 t -89.57 157.62 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.036 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.419 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.0 OUTLIER -97.23 92.08 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.91 116.79 32.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t 59.92 35.88 21.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.419 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.8 35.63 89.95 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.56 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -170.49 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.829 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -123.42 85.36 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -103.94 166.66 10.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.93 143.26 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -71.99 117.7 13.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.5 t -96.36 103.71 15.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -65.0 -25.89 68.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.002 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.66 -41.58 81.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.092 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.8 m -118.43 2.4 11.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.417 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t 63.54 5.77 2.28 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -100.86 -170.02 1.79 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -118.2 122.35 42.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.734 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 8.5 m-70 -119.52 143.01 47.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.998 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.11 164.0 1.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.4 mt -75.78 -18.98 59.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.227 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -90.11 17.79 6.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.381 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -109.07 -30.33 8.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 27.9 m-85 -82.13 135.38 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -101.67 152.35 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 60.57 -163.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.75 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -94.26 39.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.183 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -102.25 137.98 39.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.07 35.45 1.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.82 160.07 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.56 -177.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.11 13.66 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -35.07 15.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.773 0.321 . . . . 0.0 110.791 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.81 -33.15 6.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.6 tp -71.01 -52.32 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.82 98.0 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -118.66 138.51 13.74 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 37.7 m80 60.1 179.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -131.58 -177.95 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -77.82 119.22 21.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -158.22 163.93 37.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.65 34.54 2.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -163.23 131.04 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -140.43 -46.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 t -97.41 39.87 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -35.7 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.88 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -166.15 47.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.94 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.832 0.348 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.4 mmt-85 -78.26 98.9 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -128.47 -41.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 t -52.18 136.79 29.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -83.17 -28.41 29.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.408 HG11 ' CD2' ' A' ' 79' ' ' HIS . 9.5 t -57.96 143.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -86.92 160.5 18.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mtp-105 65.16 20.21 11.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.3 t -87.36 143.12 27.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.783 0.325 . . . . 0.0 110.805 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 p -140.82 26.61 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.219 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.11 126.39 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -69.86 115.34 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.5 mtp -98.45 33.89 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -82.92 -31.88 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -117.91 31.57 6.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.91 -178.92 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.57 170.01 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -9.45 58.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.369 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -79.92 -28.3 39.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -98.17 41.9 1.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -126.63 -56.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -58.54 -31.29 67.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -86.52 -14.52 42.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? 63.0 33.06 15.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.7 p -138.97 145.42 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 p -94.94 176.43 6.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -68.66 -34.95 76.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.57 -29.46 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.241 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.424 ' CD2' HG11 ' A' ' 85' ' ' VAL . 27.9 m80 -106.49 -30.24 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.13 82.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -78.49 -30.85 47.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.58 168.89 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.06 -60.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.53 139.66 49.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.424 HG11 ' CD2' ' A' ' 79' ' ' HIS . 6.3 t -134.83 157.57 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.413 ' CZ ' ' HA2' ' A' ' 89' ' ' GLY . 1.1 t80 -84.41 98.17 9.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mp -115.45 116.56 28.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.61 34.37 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.413 ' HA2' ' CZ ' ' A' ' 86' ' ' PHE . . . 73.84 27.67 66.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.547 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.3 165.12 28.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.806 0.336 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.07 103.51 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -118.26 146.91 43.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 18.9 mtm180 -110.93 132.95 53.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -63.53 120.34 11.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.7 t -103.75 107.29 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.62 -29.39 66.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -31.98 65.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 28.4 m -121.25 3.48 10.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.377 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.0 t 61.65 7.33 1.85 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.42 171.63 8.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.817 0.342 . . . . 0.0 110.74 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -86.07 152.74 22.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.025 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 7.0 m-70 -137.54 133.33 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.8 165.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.5 mt -70.78 -29.99 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.24 15.34 10.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.329 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.7 -34.05 12.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 93' ' ' ARG . 6.3 m-85 -83.04 160.77 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -68.86 -30.92 69.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -174.01 -77.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.46 29.35 5.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.157 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -64.97 112.53 3.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 28.05 3.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -164.42 29.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.281 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.5 -173.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -138.12 25.79 2.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.222 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.07 -36.58 14.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.5 -33.57 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 tp -64.99 -53.32 47.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.13 91.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.266 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 141.17 -178.22 20.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.523 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -114.05 -38.22 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.96 0.41 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 60.8 95.13 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -133.33 108.03 8.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.57 78.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 59.42 97.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.13 -46.2 9.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -41.36 94.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 80.0 p -102.08 152.84 20.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 41.7 m -158.66 98.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 92.31 139.75 9.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.931 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.759 0.314 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.93 79.77 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.8 mt -107.77 -30.05 8.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 t -58.32 129.25 41.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -67.84 -30.31 69.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.7 t -64.94 145.35 14.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -90.03 163.33 14.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 61.62 20.59 11.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.428 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -78.27 119.73 22.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 110.753 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.5 p -101.47 -28.82 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.83 136.64 55.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.54 115.31 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.85 29.88 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -90.11 -38.24 13.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -104.01 61.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.28 146.1 26.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.22 172.87 11.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.31 -28.79 68.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -79.94 -30.0 39.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -89.14 -28.12 20.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -80.02 -36.86 35.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -62.67 -49.75 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -77.08 -8.82 58.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.318 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.68 31.41 9.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.838 0.352 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.0 p -131.87 142.97 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.0 p -90.57 172.58 8.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.16 -35.84 82.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.253 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.2 t -58.13 -34.76 50.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.362 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -100.26 -28.12 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.28 -30.47 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -92.7 -35.95 13.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.73 130.39 46.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.4 p -100.68 36.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.27 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.23 157.45 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.416 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 2.3 t80 -101.96 68.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.5 tp -91.97 123.11 35.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.9 m 60.37 32.61 20.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.416 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.35 35.33 90.08 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.445 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.19 154.16 42.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.814 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -84.53 113.48 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -125.8 140.12 52.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -110.89 125.17 53.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.71 93.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 39.5 t -76.97 101.82 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -66.09 -25.56 67.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -40.51 77.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 19.3 m -114.74 10.2 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.285 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.4 t 54.88 14.71 0.95 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -127.19 169.33 13.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.326 . . . . 0.0 110.776 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -86.58 146.9 26.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.043 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -132.17 150.64 52.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.773 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.51 152.32 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.8 tp -57.98 -22.53 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.15 41.26 1.04 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -139.74 25.9 2.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.041 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -150.41 95.35 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.78 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.97 172.32 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.43 -177.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.21 62.69 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.049 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -132.18 148.58 52.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -121.12 37.91 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 m -164.03 177.65 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.36 155.88 11.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.912 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.55 29.13 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -90.14 -43.35 10.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.72 -36.28 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.36 -39.74 84.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.75 104.91 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -107.66 -161.75 21.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -111.69 90.52 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -134.07 80.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -157.17 135.86 11.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -176.3 -54.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.3 123.2 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -87.49 164.66 16.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.5 -46.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.0 p -69.72 176.8 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.54 -66.93 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 159.82 43.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.428 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.933 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -76.88 81.12 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 mt -111.58 -30.39 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.29 131.79 51.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -68.36 -30.62 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 t -61.05 142.77 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -87.67 160.11 18.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 64.2 17.44 10.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.8 t -90.11 105.15 17.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.852 0.358 . . . . 0.0 110.673 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.3 p -98.63 30.03 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.289 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.98 158.27 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -100.26 146.34 27.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 46.0 mtp -135.02 35.22 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -59.83 -40.03 87.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.72 72.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.63 151.04 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 175.63 9.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 mp -72.15 -13.1 61.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.271 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -79.81 -28.55 40.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.743 0.306 . . . . 0.0 111.044 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -98.03 -29.78 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.7 mtp85 -80.06 -33.63 38.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -74.8 -34.59 62.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -92.36 -12.9 31.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.311 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 32.16 12.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.808 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.8 p -134.22 119.02 29.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.8 p -71.91 173.78 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.41 -34.76 76.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.5 t -59.03 -30.07 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.422 ' CD2' HG13 ' A' ' 85' ' ' VAL . 21.5 m80 -105.29 -27.95 11.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.07 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.78 -32.53 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -96.42 -25.58 15.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.17 -22.43 28.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.411 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 70.14 -66.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 p -101.79 128.51 48.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 79' ' ' HIS . 6.1 t -126.77 157.6 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.411 ' CZ ' ' O ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -95.98 82.09 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 tp -98.96 123.35 43.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.013 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m 57.52 24.8 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.411 ' O ' ' CZ ' ' A' ' 86' ' ' PHE . . . 94.36 -36.13 3.9 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.648 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.62 172.09 13.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -107.12 119.75 40.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.714 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.83 138.73 50.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 15.9 mmm-85 -97.28 153.14 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -76.9 110.46 11.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.3 t -91.37 98.9 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -27.22 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -40.78 83.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 25.9 m -113.81 15.98 18.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.288 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t 49.58 19.95 0.44 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -135.25 -178.72 5.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.877 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -95.51 161.17 14.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 8.4 m-70 -145.12 149.03 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -57.34 153.8 11.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.975 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tp -65.97 -26.69 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.009 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -84.36 4.07 32.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.78 -36.67 17.16 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.872 0.368 . . . . 0.0 110.987 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 93' ' ' ARG . 12.9 m-85 -82.21 149.77 27.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.66 126.06 34.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 64.2 -79.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -167.62 34.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -58.81 163.78 3.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.59 25.99 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.8 168.06 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.0 178.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -132.53 29.68 4.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.16 -66.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -106.78 -29.97 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -40.61 84.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.91 82.78 3.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -102.59 128.02 9.4 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.27 109.12 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -153.45 115.4 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.09 31.16 4.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -141.97 119.61 11.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -86.57 162.17 18.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.97 34.28 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.53 30.44 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.84 160.89 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.3 m -129.2 99.48 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 94.37 -42.99 2.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.542 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.944 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.852 0.358 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -115.3 101.23 8.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mt -142.26 22.79 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.93 144.09 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -89.63 -29.82 18.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.982 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.3 t -57.97 143.65 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.218 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -89.99 157.31 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? 61.2 27.33 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.6 t -78.76 129.51 34.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.1 t -113.48 -22.25 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.444 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.63 144.06 56.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -90.69 138.61 31.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.0 mtp -106.42 31.38 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -31.71 50.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -131.17 77.92 1.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.1 155.74 27.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 159.21 18.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -25.86 63.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -79.9 -28.7 39.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -97.65 36.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -120.34 -69.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -57.63 -31.61 66.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -72.76 -20.77 61.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mttt 61.57 46.6 7.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.805 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 p -146.92 144.28 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 29.4 m -80.67 156.3 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -61.72 -40.91 96.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.63 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.75 -30.8 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -83.42 -29.69 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.98 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.99 10.5 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.66 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -150.24 28.8 0.73 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.763 0.316 . . . . 0.0 110.993 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.99 178.08 6.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 -31.18 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 98.4 p -166.61 93.6 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 t -79.91 157.61 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.415 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.9 OUTLIER -93.96 127.35 39.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.26 111.82 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.736 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.15 23.56 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 94.36 -35.02 4.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.693 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tp -79.99 156.38 27.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -79.88 133.65 36.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.18 176.07 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.42 ' CB ' ' CD2' ' A' ' 107' ' ' PHE . 1.3 mmm180 -159.84 161.96 34.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -90.09 141.06 29.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.3 t -116.02 100.79 8.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -26.23 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.799 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -47.88 80.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.9 m -116.51 14.72 15.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.177 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t 46.66 23.3 0.23 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.4 ' HB2' ' CE1' ' A' ' 102' ' ' HIS . 2.5 mtm-85 -110.56 -174.18 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -116.72 105.75 12.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.666 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.4 ' CE1' ' HB2' ' A' ' 100' ' ' ARG . 8.1 m-70 -105.01 159.01 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.039 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -55.85 161.88 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.218 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.88 -25.65 63.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.037 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -26.26 12.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.082 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -79.86 -30.66 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.827 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.42 ' CD2' ' CB ' ' A' ' 93' ' ' ARG . 91.3 m-85 -103.0 29.64 5.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.95 160.41 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 62.55 -80.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.1 -179.22 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm 60.92 113.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.16 35.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.7 -174.38 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.7 175.68 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.808 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -127.46 19.35 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.271 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -67.64 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.943 0.402 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -98.5 -31.44 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -39.42 81.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.46 89.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 179.15 140.01 3.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.414 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.87 160.99 31.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -125.34 86.56 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -140.14 94.66 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -90.45 -39.54 12.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.88 175.66 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -143.37 56.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.3 mptt 60.38 97.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.787 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.01 -73.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.8 m 60.47 86.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -134.68 117.06 1.7 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.458 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.919 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.745 0.307 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.45 81.77 8.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mt -105.3 -21.71 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -53.25 141.14 24.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -76.64 -32.96 58.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.2 t -65.64 142.43 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.24 161.43 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.21 23.2 13.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.9 t -73.39 116.94 14.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.759 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.2 p -88.32 -30.97 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.88 136.4 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.13 161.25 18.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.26 32.71 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -60.41 -30.86 69.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -130.72 77.77 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.61 154.84 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -101.39 175.04 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.23 -28.18 66.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -79.93 -23.24 41.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -109.57 46.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.915 0.388 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -124.88 -78.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -26.37 61.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -79.0 -27.27 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt 62.21 46.58 6.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.4 p -145.37 151.62 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.3 p -100.53 170.76 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.44 -35.78 81.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.6 t -58.1 -33.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.256 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.411 ' CD2' HG11 ' A' ' 85' ' ' VAL . 19.8 m80 -102.23 -28.8 12.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.2 -30.72 66.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -123.69 39.1 4.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.91 -175.44 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 p -105.72 -32.84 8.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.6 p -169.87 123.49 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.411 HG11 ' CD2' ' A' ' 79' ' ' HIS . 5.7 t -114.66 157.52 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.05 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.4 OUTLIER -102.75 83.27 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 tp -93.34 117.62 30.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.2 t 59.77 33.32 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 68.59 28.1 73.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.547 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.46 165.52 24.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -91.87 115.96 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -137.79 156.26 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -133.57 142.62 48.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.82 99.38 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.59 99.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -25.5 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -50.32 74.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.0 m -109.8 7.66 24.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.264 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.14 13.74 1.29 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.573 0.225 . . . . 0.0 111.575 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.08 -175.79 2.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.741 0.305 . . . . 0.0 110.945 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -111.72 102.37 10.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -103.45 151.29 22.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -63.2 159.71 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.15 -32.06 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -61.32 -24.35 66.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -80.04 -30.77 39.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.99 -38.77 92.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t70 59.93 163.96 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -73.4 -36.07 65.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.94 -48.78 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -86.61 169.03 13.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.3 40.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.69 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.39 -173.06 3.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -96.16 -45.87 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -58.22 124.45 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 75.05 -61.75 0.47 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -43.25 19.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.67 116.34 11.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.75 65.45 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -114.08 101.4 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.712 0.292 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -154.85 32.09 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -100.85 158.39 16.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -150.4 127.14 10.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.81 153.43 22.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.795 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -119.26 144.74 46.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.22 -178.39 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.5 p -143.11 -49.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.3 p -78.81 136.49 37.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -108.1 -55.18 0.6 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.921 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.848 0.356 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 91.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.6 mt -114.07 -33.5 5.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.29 141.4 46.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -83.39 -30.91 27.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.425 HG12 ' CD2' ' A' ' 79' ' ' HIS . 6.8 t -61.22 145.8 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.069 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.06 161.68 16.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.36 17.8 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.3 t -81.99 132.72 35.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 t -127.37 24.24 6.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.05 165.26 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -95.82 143.14 27.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.8 mtp -139.77 34.49 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -66.68 -36.51 82.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -140.93 76.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.1 -174.04 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.29 161.34 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.37 -23.95 62.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -79.89 -35.51 37.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -85.49 -28.49 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -31.48 39.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -74.59 -37.84 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -86.41 -12.16 49.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.338 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 mttt 63.99 35.29 10.77 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.54 143.76 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.8 p -94.92 173.45 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.88 -36.06 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.7 t -56.69 -30.25 31.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.425 ' CD2' HG12 ' A' ' 56' ' ' VAL . 23.1 m80 -103.51 -27.82 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.72 -30.54 70.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.003 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -112.05 30.6 6.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.99 130.95 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 m -71.28 -31.48 67.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.7 p -158.59 100.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 t -83.57 157.68 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.417 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.6 OUTLIER -106.45 85.87 2.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.17 116.77 32.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 59.54 32.06 21.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.417 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 69.99 27.26 73.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tp -130.96 149.91 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -79.87 116.14 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -134.06 160.7 36.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.29 153.14 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -81.14 115.11 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 99' ' ' SER . 50.3 t -89.68 96.88 10.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -59.18 -25.11 63.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -49.4 77.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.176 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.0 m -108.81 -3.68 17.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.447 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 95' ' ' CYS . 3.1 t 71.17 -2.9 2.21 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -93.77 -174.03 3.33 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.951 0.405 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -113.98 123.19 49.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.728 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -119.1 163.11 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.61 162.8 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 tp -75.65 -28.57 58.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -21.36 47.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -79.84 -27.81 40.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -103.11 43.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -129.45 36.21 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.95 -157.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.542 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -91.07 38.34 0.96 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.833 0.349 . . . . 0.0 111.223 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -151.1 87.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.24 54.64 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.971 0.415 . . . . 0.0 110.987 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m 179.66 54.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.98 -174.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.974 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.23 -34.14 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 20.7 ttm180 -59.76 130.38 46.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 116' ' ' ARG . 1.1 mmm180 68.34 -63.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.29 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -43.7 17.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.94 115.4 11.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.69 142.46 0.63 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -74.22 176.72 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -68.49 -41.84 79.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -78.73 153.85 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.17 165.27 19.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.52 148.27 12.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.981 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -123.56 175.77 6.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 176.46 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.2 m 60.59 -178.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.794 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.58 162.05 21.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 169.04 -41.79 0.22 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.922 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.913 HD12 HD11 ' A' ' 53' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -94.24 88.98 5.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.913 HD11 HD12 ' A' ' 51' ' ' LEU . 1.8 mt -133.02 21.57 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.069 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -85.16 128.49 34.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -60.28 -35.89 76.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.738 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.565 HG11 HG11 ' A' ' 85' ' ' VAL . 13.7 t -62.7 124.41 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.059 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -78.98 159.64 27.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? 63.22 22.55 13.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.33 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.6 t -85.24 132.95 34.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.695 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -120.28 28.6 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.516 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.12 137.25 32.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.49 120.33 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.2 mtp -106.63 38.12 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -59.49 -34.38 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -133.83 79.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.77 169.17 9.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.57 166.4 17.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.74 -17.98 64.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.256 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -79.9 -28.86 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -97.59 -28.87 13.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -80.11 -31.2 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -75.25 -51.28 13.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.036 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -73.21 -8.68 56.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.415 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mttm 63.27 46.49 4.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.907 0.384 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 76' ' ' CYS . 11.2 p -135.72 158.77 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.487 ' N ' HG22 ' A' ' 75' ' ' VAL . 27.7 m -96.0 148.94 22.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.033 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.74 -32.66 71.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.469 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.793 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 22.9 t -75.46 -32.5 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.765 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -81.54 -28.51 33.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.78 96.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.208 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.25 45.98 2.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.793 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.96 175.9 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.85 73.41 2.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 p 62.98 109.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.565 HG11 HG11 ' A' ' 56' ' ' VAL . 5.6 t -90.8 157.62 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.427 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 5.3 t80 -90.77 89.33 7.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 tp -112.03 124.72 53.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.64 20.34 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.261 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.427 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 93.41 -38.31 3.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.725 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.05 167.76 18.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.994 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -87.95 113.21 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -123.33 123.8 41.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -105.1 171.6 7.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -88.66 158.03 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.4 t -131.64 94.47 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.648 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -23.44 27.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.26 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -54.13 49.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.171 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.8 m -105.46 -4.68 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.452 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t 69.61 -1.0 2.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.36 -171.23 2.59 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -110.04 128.96 55.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -127.29 147.56 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.019 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -64.68 166.58 8.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.068 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.69 -31.93 63.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -25.59 65.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.8 -30.85 40.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -82.11 149.56 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -162.88 175.01 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 60.52 176.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.65 -31.14 69.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -78.44 123.99 27.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 52.98 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.51 175.58 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 161.19 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.067 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -29.9 24.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 132.34 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 77.18 -59.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.978 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.34 -58.47 6.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.081 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.789 0.328 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -99.83 82.68 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 mt -109.73 -22.44 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.2 t -53.67 126.89 23.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.893 0.377 . . . . 0.0 111.119 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -66.7 -31.23 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 85' ' ' VAL . 24.1 t -60.49 115.95 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.08 154.46 41.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 60.76 29.55 19.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.97 148.65 44.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.1 p -110.16 -32.86 6.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.2 137.93 58.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -92.21 135.25 34.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mtp -106.54 36.23 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -65.47 -34.92 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -142.22 83.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.15 176.98 6.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.19 172.86 8.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -31.21 69.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -80.82 -29.69 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -98.16 32.5 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -125.99 -51.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -66.07 -33.3 75.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -89.31 -25.43 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt 65.45 55.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.806 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 p -143.52 141.54 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.0 m -73.11 152.69 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.92 -33.87 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.608 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 30.7 t -78.81 -30.87 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -83.02 -28.99 29.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.68 -56.38 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -100.51 41.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -81.53 177.06 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.37 -29.89 9.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -172.23 102.8 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -96.75 157.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.411 ' N ' HG12 ' A' ' 85' ' ' VAL . 5.1 t80 -96.04 105.98 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.3 122.01 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 59.02 25.6 14.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 86' ' ' PHE . . . 90.44 -46.48 3.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.664 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.89 164.56 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.387 . . . . 0.0 110.951 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -80.03 145.24 32.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -150.67 161.45 42.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.448 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 3.3 mmm180 -139.33 147.06 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.02 128.54 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.006 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.8 t -110.3 97.21 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -28.73 67.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -48.1 77.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 6.8 m -111.18 20.55 17.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.246 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 t 44.27 25.12 0.1 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -135.83 -173.59 3.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -106.79 156.11 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 19.2 m-70 -140.46 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -68.1 148.57 50.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.9 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -22.05 64.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.127 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.86 -41.26 26.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.448 ' CE2' ' HB2' ' A' ' 93' ' ' ARG . 75.3 m-85 -76.58 159.5 30.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -172.93 -178.47 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -60.34 -178.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.32 -78.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -107.12 146.31 31.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.54 44.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -146.23 56.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.43 164.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.572 ' HG2' ' HB2' ' A' ' 119' ' ' ALA . 1.2 ttp180 -126.31 23.88 6.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -90.14 -70.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.24 -30.87 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -43.99 92.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.572 ' HB2' ' HG2' ' A' ' 115' ' ' ARG . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 51' ' ' LEU . 3.5 mm? . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.812 0.339 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -100.34 82.2 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -110.79 -25.89 9.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -54.71 123.18 12.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.864 0.364 . . . . 0.0 110.998 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -60.28 -30.99 69.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.697 ' HA ' HD21 ' A' ' 87' ' ' LEU . 7.5 t -62.56 143.42 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.02 160.94 16.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 62.08 23.09 13.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.363 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.2 t -84.94 108.48 17.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.7 p -104.41 31.0 4.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.34 -171.91 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -121.3 109.09 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.3 mtp -98.94 30.96 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -75.65 -54.26 7.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.753 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -101.84 46.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.1 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -85.46 164.95 17.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -21.5 64.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 85.3 t80 -79.94 -53.43 6.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.352 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -62.35 -29.45 70.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.06 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -79.95 -30.99 39.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -48.74 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.409 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 45.0 m-70 -79.47 -3.06 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.493 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mttt 61.49 43.38 10.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.003 0.43 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.9 p -147.4 147.71 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.9 p -97.23 171.57 8.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -68.82 -33.39 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.606 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 29.6 t -59.9 -29.71 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.436 ' CD2' HG11 ' A' ' 56' ' ' VAL . 18.5 m80 -105.52 -30.72 9.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.79 -31.65 68.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -115.02 29.56 7.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.12 178.13 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -104.36 -32.62 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.7 p -162.75 141.0 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.546 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -133.31 157.44 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.051 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.413 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.9 OUTLIER -104.67 84.69 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' A' ' 56' ' ' VAL . 1.3 mt -98.62 121.64 40.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m 59.76 42.42 16.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.413 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 60.76 26.71 65.43 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.496 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 tp -139.9 148.08 41.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -80.37 123.74 28.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -142.27 148.06 37.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -113.31 160.64 18.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -82.15 112.98 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.015 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.4 t -87.71 105.98 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.665 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -23.0 66.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -39.63 90.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.6 m -117.45 17.74 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.393 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t 45.69 23.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -135.09 173.21 11.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.805 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -85.49 154.97 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.08 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -142.42 168.9 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.4 148.37 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.6 tp -69.14 -13.67 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.362 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -90.12 17.92 6.46 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.486 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -107.16 -30.8 8.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -102.6 152.82 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.53 162.83 38.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.009 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.16 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.983 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.56 41.19 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.4 97.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.07 27.39 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 m 60.74 175.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.41 178.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.38 23.35 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -90.0 -66.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -91.37 -30.44 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -50.77 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' O ' HD23 ' A' ' 53' ' ' LEU . 5.1 mpt_? -82.31 102.37 11.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 52' ' ' ARG . 2.3 mt -142.18 23.6 2.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.79 131.86 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -67.67 -29.62 68.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.789 HG11 ' CD2' ' A' ' 79' ' ' HIS . 10.8 t -65.32 144.94 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -90.07 161.24 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.033 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 12.4 mtm105 61.85 22.62 13.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.5 t -86.21 127.89 34.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.8 p -140.44 29.43 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.93 160.09 16.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.86 115.47 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.84 32.01 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.45 -47.39 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.16 56.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.99 156.17 27.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -175.05 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.11 -26.47 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -79.96 -29.54 39.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -98.63 33.67 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.59 -78.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -58.16 -26.57 62.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -77.22 -22.12 52.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.2 mttm 62.33 44.9 7.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 p -146.41 140.99 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -91.1 173.74 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.63 -29.39 67.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.179 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.51 -29.67 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.278 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.789 ' CD2' HG11 ' A' ' 56' ' ' VAL . 16.4 m80 -104.57 -30.26 10.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.981 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.64 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.18 33.45 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.42 147.14 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -51.34 24.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.0 p -159.26 113.67 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -98.02 157.12 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -97.04 96.33 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 87' ' ' LEU . 8.5 tp -114.89 128.48 56.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t 61.09 32.52 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.18 29.88 73.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.16 158.5 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.819 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -80.1 125.03 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -140.43 119.43 12.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.45 ' CG ' ' CE2' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -89.84 160.0 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -79.03 113.46 17.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.6 t -84.25 106.18 15.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.664 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.0 -15.2 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.299 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.92 -36.94 67.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.667 0.27 . . . . 0.0 111.301 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.0 m -122.18 -0.74 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.519 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.76 3.27 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -96.33 -170.18 2.05 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -115.69 119.89 37.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -118.35 158.08 25.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.42 161.19 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.025 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.39 -28.59 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.16 16.4 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.445 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -109.78 31.08 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.936 0.398 . . . . 0.0 110.949 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.45 ' CE2' ' CG ' ' A' ' 93' ' ' ARG . 97.6 m-85 -140.69 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.52 153.74 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -34.58 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.25 -45.8 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -95.81 128.47 42.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -98.35 33.86 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -131.44 168.76 17.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.22 176.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.965 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.43 ' HG3' ' HB2' ' A' ' 119' ' ' ALA . 6.6 ttt-85 -130.28 17.0 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.38 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -90.12 -36.02 15.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.69 -31.86 7.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -43.81 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.43 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.74 0.305 . . . . 0.0 111.276 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -111.19 82.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.617 HD12 ' CB ' ' A' ' 63' ' ' MET . 5.2 mt -94.8 -28.36 15.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.174 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.6 t -57.55 139.34 53.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -76.94 -31.49 56.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.6 HG11 HG11 ' A' ' 85' ' ' VAL . 8.5 t -60.77 145.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -90.01 160.3 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.02 20.32 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.316 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.7 t -90.1 124.28 34.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.81 0.338 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -111.78 29.63 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.98 152.5 21.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.071 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.42 130.07 46.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.617 ' CB ' HD12 ' A' ' 53' ' ' LEU . 43.3 mtp -125.79 37.62 4.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -59.93 -42.71 94.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -136.96 74.24 1.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.7 -175.83 3.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -79.51 164.2 24.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.41 -18.06 63.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.204 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.433 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 86.5 t80 -79.97 -38.77 31.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.777 0.322 . . . . 0.0 110.956 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -77.96 -28.87 49.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.066 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -80.0 -31.17 39.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 -76.12 -31.36 58.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.433 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 21.6 m-70 -94.81 -9.42 34.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.405 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 mttp 61.59 42.56 10.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.9 p -145.07 143.93 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.0 p -92.57 169.0 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.34 -34.58 78.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.1 t -58.99 -38.14 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.357 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.489 ' CE1' HG11 ' A' ' 56' ' ' VAL . 65.6 m-70 -96.77 -30.26 13.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.39 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.73 31.45 6.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.94 174.36 7.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.5 t -102.82 -30.75 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.8 p -165.49 118.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.6 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -104.95 157.57 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.411 ' N ' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -101.59 85.98 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.804 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.478 HD12 HG13 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -98.22 117.85 33.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.5 m 58.73 23.42 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.401 ' O ' ' CE1' ' A' ' 86' ' ' PHE . . . 95.21 -28.6 11.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.592 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.04 149.52 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.435 ' HB2' HD22 ' A' ' 104' ' ' LEU . 13.1 m-20 -80.26 117.08 20.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -120.36 147.46 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 2.1 tpp180 -114.62 144.87 42.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.785 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -70.16 108.84 4.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 48.7 t -92.34 101.05 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -65.03 -26.31 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -41.69 80.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.994 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.1 m -113.96 13.57 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.306 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t 52.11 17.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -131.26 176.64 8.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.76 0.314 . . . . 0.0 110.911 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -92.87 155.34 17.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.145 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 9.2 m-70 -141.37 166.27 25.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.765 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.48 150.15 47.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.731 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' ' 91' ' ' ASN . 2.8 tp -58.53 -30.64 67.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -65.38 -17.01 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -96.72 34.06 1.74 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 93' ' ' ARG . 84.2 m-85 -148.59 119.3 7.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.12 165.93 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -63.94 -33.65 76.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.92 -46.7 5.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 137.41 49.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 40.68 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.708 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.477 ' HB2' ' HG ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -141.1 -166.45 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.91 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -169.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.698 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.17 -28.9 9.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.952 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.98 127.58 33.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.62 -60.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.25 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.477 ' HG ' ' HB2' ' A' ' 113' ' ' SER . 0.1 OUTLIER -46.7 -49.01 20.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.259 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 111.03 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.488 HD12 ' CG ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.803 0.335 . . . . 0.0 111.182 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 90.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.488 ' CG ' HD12 ' A' ' 51' ' ' LEU . 81.4 mt -112.08 -28.02 8.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 t -56.07 129.52 40.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.01 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.34 -26.07 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.642 HG11 HG11 ' A' ' 85' ' ' VAL . 10.0 t -57.53 143.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.178 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -86.78 160.68 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 21.64 12.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.304 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.2 t -89.43 142.55 27.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.878 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.4 p -142.15 25.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.08 122.7 33.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -63.55 112.33 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.0 mtp -98.15 35.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -70.99 -31.33 67.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -110.31 41.56 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.93 178.61 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.63 -179.32 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.007 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.68 -22.68 67.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -79.87 -29.15 39.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.02 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -97.95 -29.13 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -79.98 -47.18 15.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -59.55 -41.93 91.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -82.99 -11.76 57.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.272 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.3 mttp 61.13 42.03 12.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.919 0.39 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -146.21 144.49 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 p -95.81 176.28 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.58 -31.27 69.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.126 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.3 t -61.92 -28.44 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.362 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -110.19 -29.9 7.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -33.89 72.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -86.12 -40.12 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.38 70.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.52 -67.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.8 p -77.27 106.09 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.642 HG11 HG11 ' A' ' 56' ' ' VAL . 7.1 t -121.85 157.52 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.412 ' N ' HG12 ' A' ' 85' ' ' VAL . 1.7 t80 -88.78 90.62 8.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -116.53 133.88 55.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.795 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.4 m 60.34 39.6 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.81 27.98 65.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.453 HD22 ' OD1' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -151.46 166.68 30.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' A' ' 104' ' ' LEU . 18.6 m120 -86.82 115.72 24.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -121.79 162.99 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -126.28 155.52 41.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.787 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -75.14 124.71 27.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 50.9 t -106.03 99.75 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.814 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -26.13 67.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -44.35 94.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.019 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.0 m -111.52 15.47 21.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.474 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 t 50.67 18.63 0.5 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -132.84 -178.59 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.779 0.323 . . . . 0.0 110.758 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -95.8 159.39 15.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.168 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 9.2 m-70 -144.34 160.36 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.453 ' OD1' HD22 ' A' ' 90' ' ' LEU . 18.1 t0 -63.27 158.76 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.431 HD12 ' HB2' ' A' ' 91' ' ' ASN . 5.8 mt -70.66 -15.78 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.274 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.18 18.81 5.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.379 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -111.42 -33.99 6.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.763 0.316 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 21.7 m-85 -89.85 160.57 16.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.93 165.23 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.03 -31.32 69.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.2 -54.21 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -71.26 134.6 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.801 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -117.36 42.65 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.16 -167.06 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.99 157.67 20.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 21.4 mtm105 -81.72 -27.96 33.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.72 135.32 49.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.742 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 71.6 -63.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.89 -61.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 115' ' ' ARG . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.846 0.355 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.36 74.57 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.64 -29.32 7.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.26 122.88 12.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -60.01 -28.76 67.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.553 ' CG1' HG11 ' A' ' 85' ' ' VAL . 4.1 t -64.19 145.78 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.12 160.24 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.89 19.48 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.288 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.9 t -90.06 138.29 31.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.1 t -137.17 35.78 2.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.206 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.08 148.95 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -89.98 119.53 30.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.3 mtp -108.07 32.51 4.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -75.12 -34.25 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -124.38 55.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.51 174.47 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -84.88 167.91 15.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -20.48 64.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -79.82 -43.39 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -74.13 -25.26 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -79.93 -44.5 20.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 ttm-85 -59.07 -50.32 74.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -73.48 -12.1 60.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.335 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp 61.7 53.48 3.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 p -154.39 148.11 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.5 p -93.71 158.57 15.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.85 -32.84 72.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.275 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.614 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.6 t -56.12 -42.77 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.45 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.454 ' CD2' HG11 ' A' ' 56' ' ' VAL . 17.8 m80 -90.2 -29.4 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.979 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.55 -29.21 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.66 40.22 3.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.72 -30.22 18.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m 69.59 10.23 7.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.476 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 p -179.64 113.56 0.05 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.685 0.279 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.553 HG11 ' CG1' ' A' ' 56' ' ' VAL . 3.9 t -131.22 156.7 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.201 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.412 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.3 t80 -99.64 92.36 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tp -107.06 111.25 23.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.47 35.68 24.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.412 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 73.05 26.79 69.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.73 149.27 43.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.606 ' CB ' HD12 ' A' ' 104' ' ' LEU . 5.1 m120 -79.95 122.71 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -132.84 161.79 33.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.441 ' HB2' ' CE1' ' A' ' 107' ' ' PHE . 37.6 mtp180 -130.7 151.69 50.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.795 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -76.14 109.0 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 46.7 t -92.58 101.18 13.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -63.79 -26.97 68.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' OE1' HD22 ' A' ' 118' ' ' LEU . 5.7 mt-30 -59.09 -41.79 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.066 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.9 m -113.61 16.51 18.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.405 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t 49.26 20.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -134.73 -177.41 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.698 0.285 . . . . 0.0 110.778 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -99.47 159.98 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.191 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -143.34 178.91 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.16 150.34 45.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.606 HD12 ' CB ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -59.05 -21.29 58.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -88.3 50.36 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.975 0.417 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -155.4 26.55 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 93' ' ' ARG . 25.9 m-85 -155.08 64.08 0.64 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.702 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -178.2 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.069 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.46 -33.28 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.51 -56.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.743 ' HG2' HD23 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -92.13 146.07 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -107.04 35.05 3.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 m -152.88 -59.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' CYS . . . . . 0.401 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 0.5 OUTLIER -175.11 179.36 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.818 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.552 ' HG2' ' HB2' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -130.62 26.65 5.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -54.32 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.5 ttm105 -111.88 -33.86 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.743 HD23 ' HG2' ' A' ' 111' ' ' LYS . 5.3 tp -58.66 -38.61 78.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.552 ' HB2' ' HG2' ' A' ' 115' ' ' ARG . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.784 0.326 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -144.67 77.06 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 mt -108.74 -28.14 9.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.1 t -56.86 132.33 52.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.085 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -81.64 -25.83 35.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.56 HG11 HG11 ' A' ' 85' ' ' VAL . 21.8 t -56.88 123.88 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.201 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.74 157.21 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.95 25.99 15.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.7 t -74.44 133.64 42.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.829 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 p -132.04 28.51 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.263 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.93 179.76 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.011 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -108.0 121.94 45.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.3 mtt -120.29 31.09 6.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -65.09 -43.02 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -136.33 80.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.19 161.68 17.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -79.25 175.91 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -25.28 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.441 ' CZ ' ' NE2' ' A' ' 73' ' ' HIS . 73.9 t80 -79.89 -52.82 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -64.46 -18.47 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.91 -32.56 40.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -46.11 60.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.441 ' NE2' ' CZ ' ' A' ' 69' ' ' TYR . 77.9 m-70 -80.0 -25.58 40.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.62 53.97 1.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.957 0.408 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 ' HB2' ' A' ' 80' ' ' ALA . 9.8 p -150.94 138.6 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.5 m -72.35 160.58 32.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -62.23 -32.02 72.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.835 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 5.2 t -76.53 -30.8 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.506 ' HB3' HG21 ' A' ' 56' ' ' VAL . 17.4 m-70 -89.86 -22.96 21.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.434 ' HB2' HG13 ' A' ' 75' ' ' VAL . . . -85.16 -44.06 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.244 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.05 26.43 4.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.835 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.08 155.63 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 p -85.53 -31.51 22.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.71 106.22 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.56 HG11 HG11 ' A' ' 56' ' ' VAL . 6.1 t -96.65 157.59 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.015 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.43 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 2.1 t80 -90.05 79.18 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.0 122.7 41.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.14 32.78 21.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.98 27.4 73.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.623 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.43 -173.85 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -114.09 110.87 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -138.14 145.66 41.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 107' ' ' PHE . 12.3 ttm-85 -111.94 136.03 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.2 112.09 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.61 98.17 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.43 -26.68 68.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.71 72.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.027 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.6 m -119.34 12.99 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.343 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 t 54.35 15.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -129.91 178.62 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.83 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -95.88 156.7 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -141.67 154.05 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.1 154.3 27.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.83 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.21 -27.58 64.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -73.45 -8.29 55.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -96.32 29.8 2.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 35.9 m-85 -145.0 68.07 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -58.87 142.64 50.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.026 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 58.57 -177.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.43 65.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.044 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -125.78 124.78 41.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.3 mtt85 -97.1 40.49 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.96 171.37 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.16 -172.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.517 ' HG3' ' HB2' ' A' ' 119' ' ' ALA . 30.6 ttt-85 -138.14 27.84 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.232 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -90.05 -66.34 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.048 0.452 . . . . 0.0 110.894 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -103.55 -29.5 11.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -58.18 -39.83 79.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.517 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.211 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.45 88.07 7.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.77 HD11 HD22 ' A' ' 51' ' ' LEU . 2.1 mt -138.0 22.92 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.27 134.3 33.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -65.58 -30.47 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 85' ' ' VAL . 5.6 t -69.45 144.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.93 159.85 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.001 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 61.51 25.12 15.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.331 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.0 t -81.6 101.55 10.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.346 . . . . 0.0 110.751 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 p -98.45 27.24 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.07 159.7 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -99.13 118.52 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.33 31.05 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -31.4 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -121.99 68.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.79 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.72 -175.84 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -110.31 -179.89 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.6 mt -71.95 -19.7 61.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.161 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -79.89 -54.76 5.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.979 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' A' ' 77' ' ' GLU . 10.0 m170 -63.94 -27.73 69.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -87.4 6.78 32.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.422 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 -32.19 8.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.536 ' HB2' HG12 ' A' ' 75' ' ' VAL . 78.9 m-70 -98.91 9.06 44.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.43 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.58 35.04 24.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 73' ' ' HIS . 11.1 p -138.48 148.95 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.5 p -95.51 174.23 7.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.821 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.401 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 21.0 tt0 -69.26 -29.23 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.63 -28.55 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -105.88 -30.35 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.095 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.87 82.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -111.93 31.47 6.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.9 170.75 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.18 -31.65 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.5 p -151.09 136.06 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 56' ' ' VAL . 6.0 t -141.88 157.42 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.434 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.5 t80 -99.89 126.4 46.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.87 118.32 7.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.6 m 59.66 32.34 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.434 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 70.81 34.87 66.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.99 142.57 21.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.764 0.316 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.554 ' CB ' HD12 ' A' ' 104' ' ' LEU . 92.2 m-20 -79.97 136.39 36.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -140.21 -177.75 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -142.79 151.89 41.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -80.86 96.11 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 35.7 t -82.0 103.08 11.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -65.68 -28.8 69.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -40.17 69.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.2 m -115.22 10.35 15.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.353 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.8 t 52.58 16.99 0.72 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -129.45 173.64 10.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.767 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -85.25 156.58 20.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -143.71 159.51 42.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.74 149.3 47.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.554 HD12 ' CB ' ' A' ' 91' ' ' ASN . 1.2 mt -61.27 -23.24 65.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -89.99 14.88 11.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.34 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -108.75 27.85 9.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.778 0.323 . . . . 0.0 111.029 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -147.33 59.71 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.01 158.63 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.99 -171.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.78 51.98 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -113.42 120.27 40.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -93.84 47.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.69 -173.17 4.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.48 169.46 11.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.0 ttp85 -107.64 24.9 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.316 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -43.85 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.042 0.449 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.08 -33.58 6.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.002 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -35.83 75.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.416 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -73.93 92.17 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.8 mt -117.5 -37.2 3.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.88 142.5 41.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -77.75 -34.39 52.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.493 ' HA ' HD11 ' A' ' 87' ' ' LEU . 10.8 t -60.15 142.62 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.15 158.71 19.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.82 22.21 12.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.318 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.1 t -89.95 111.15 22.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.814 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 t -103.45 31.03 4.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.91 132.46 35.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.68 109.45 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.1 mtp -101.89 31.3 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.964 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -84.93 -31.34 23.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -118.23 50.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.36 151.09 22.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 169.71 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.73 -15.42 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.278 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -79.82 -30.26 40.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -101.47 32.3 3.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -117.51 -66.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -26.47 39.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.461 ' HB3' HG12 ' A' ' 75' ' ' VAL . 17.8 m-70 -76.55 -18.53 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm 63.06 31.21 16.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.461 HG12 ' HB3' ' A' ' 73' ' ' HIS . 12.6 p -144.77 137.34 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.997 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -88.8 173.02 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -67.08 -29.58 69.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.212 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.58 -28.66 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.38 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.485 ' CG ' HG21 ' A' ' 56' ' ' VAL . 22.9 m80 -106.62 -30.68 8.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.052 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.39 -38.68 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.01 -20.89 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.8 131.24 35.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.861 0.363 . . . . 0.0 111.254 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -67.11 -30.22 70.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.1 p -157.92 139.02 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.425 HG11 HG11 ' A' ' 56' ' ' VAL . 6.0 t -125.81 157.44 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.3 OUTLIER -98.92 81.01 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.703 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 56' ' ' VAL . 2.4 tp -89.38 111.61 22.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.35 31.03 20.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 76.34 46.54 12.23 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.88 150.72 22.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.82 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.433 ' HB3' HD13 ' A' ' 104' ' ' LEU . 82.5 m-20 -81.27 120.14 24.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -136.4 163.04 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.403 ' O ' ' CD2' ' A' ' 101' ' ' PHE . 8.3 ttm180 -134.99 165.69 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -90.09 116.24 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 50.4 t -93.5 102.57 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.41 -28.2 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -41.5 86.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 27.4 m -113.49 12.86 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.434 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.1 t 52.12 17.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -130.6 -179.59 5.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.812 0.339 . . . . 0.0 110.771 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 93' ' ' ARG . 5.2 m-85 -93.1 158.45 15.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.06 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -144.39 145.97 32.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -58.93 156.69 11.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 91' ' ' ASN . 1.0 OUTLIER -67.89 -25.36 65.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.987 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.56 -6.92 51.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.376 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -79.88 -33.9 39.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.37 161.1 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.8 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.2 -38.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -52.4 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.7 -29.68 28.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.387 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -64.31 108.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -93.09 48.39 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.13 -168.71 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.84 139.77 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.573 ' HG3' ' HB2' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -96.83 22.06 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -90.17 -66.34 0.93 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.973 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -100.52 -31.7 11.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -42.45 92.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.573 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.517 HD12 HD11 ' A' ' 53' ' ' LEU . 4.3 mm? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -134.01 57.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.517 HD11 HD12 ' A' ' 51' ' ' LEU . 2.6 mt -106.9 24.72 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.998 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.8 t -73.31 135.65 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -69.98 -33.61 72.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 85' ' ' VAL . 25.1 t -60.66 141.29 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.05 157.82 17.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 60.83 26.23 16.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.3 t -80.45 145.31 31.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.6 p -151.38 24.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.96 155.53 19.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -68.97 124.86 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -133.16 30.08 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -48.94 60.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -153.34 84.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.08 -79.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.85 154.76 20.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -27.23 17.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -79.93 -29.13 39.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -98.53 29.48 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -112.12 -70.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -52.65 -31.11 35.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -82.13 -26.26 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.995 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt 60.72 47.52 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 76' ' ' CYS . 10.7 p -133.23 153.78 38.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.41 ' N ' HG22 ' A' ' 75' ' ' VAL . 30.7 m -90.73 150.63 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.21 -33.21 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.633 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.584 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 14.4 t -76.25 -31.28 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.434 ' CG ' HG21 ' A' ' 56' ' ' VAL . 13.1 m170 -85.47 -28.0 25.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.14 -44.12 48.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -101.59 35.55 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.03 144.82 25.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -33.6 72.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.779 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.5 p -170.86 108.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 56' ' ' VAL . 6.3 t -100.05 157.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.029 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.41 ' N ' HG12 ' A' ' 85' ' ' VAL . 4.0 t80 -81.83 117.05 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 tp -144.43 118.46 9.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 t 58.68 26.3 14.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.409 ' HA2' ' CZ ' ' A' ' 86' ' ' PHE . . . 90.91 -45.83 2.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.777 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.95 164.55 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.973 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -86.72 129.88 34.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.761 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -131.47 155.78 46.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.973 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.38 158.6 32.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -74.77 133.93 41.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.7 t -114.39 103.88 11.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.79 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -67.05 -14.85 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.26 -39.56 71.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.746 0.307 . . . . 0.0 111.294 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.1 m -120.0 -3.43 10.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.446 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.57 1.31 2.52 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -96.4 -169.82 1.97 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.3 126.39 54.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -122.05 153.44 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.021 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -54.39 164.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.45 -11.01 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.353 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.22 19.79 4.83 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.702 0.287 . . . . 0.0 111.462 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.37 30.53 4.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -141.89 107.11 4.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.805 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.72 163.98 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.16 -70.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.49 74.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -81.75 166.27 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -149.39 43.38 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.8 m -152.54 179.94 8.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -173.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -139.53 15.48 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.284 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -90.11 -35.67 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 110.782 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 -33.72 6.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -47.96 67.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.743 0.306 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -67.48 98.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mt -136.41 22.3 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.9 t -83.18 132.65 35.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.783 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' OE1' ' CD1' ' A' ' 101' ' ' PHE . 1.8 pt20 -57.9 -29.43 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.541 HG21 ' CG ' ' A' ' 79' ' ' HIS . 8.7 t -74.98 142.34 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -88.54 159.11 18.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.0 25.22 15.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.295 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.1 t -86.31 127.68 34.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.769 0.319 . . . . 0.0 110.747 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.25 -26.8 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.22 120.26 7.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.231 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -78.27 144.88 35.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.6 mtp -102.05 32.3 3.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -77.18 -32.23 55.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -118.82 37.69 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.98 172.03 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -100.2 164.69 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.54 -26.97 68.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -79.96 -29.7 39.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -90.49 0.37 57.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.409 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.58 -63.23 1.28 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.914 0.388 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -54.93 -26.49 36.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.48 ' HB3' HG12 ' A' ' 75' ' ' VAL . 7.9 m-70 -82.8 -19.0 38.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 mttp 64.77 30.34 12.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.48 HG12 ' HB3' ' A' ' 73' ' ' HIS . 10.7 p -137.38 141.08 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.7 p -88.51 167.67 13.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -34.32 76.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.516 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.5 t -58.85 -39.13 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.353 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.541 ' CG ' HG21 ' A' ' 56' ' ' VAL . 21.2 m80 -95.22 -30.62 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.85 -30.04 70.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -98.97 -27.06 14.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -55.53 141.92 35.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.246 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -73.93 -59.53 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.3 p -115.63 157.33 24.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.431 HG11 HG11 ' A' ' 56' ' ' VAL . 6.4 t -148.78 157.52 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.429 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.4 OUTLIER -97.78 83.04 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.481 HD12 HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -93.3 112.63 24.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 p 58.35 34.38 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.429 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 72.24 27.68 69.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 tp -132.32 148.91 52.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -84.47 115.62 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -140.04 165.5 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.429 ' HD3' ' CE1' ' A' ' 107' ' ' PHE . 6.4 mtp-105 -134.03 136.14 43.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.46 111.57 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.01 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 46.2 t -96.52 100.66 12.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.779 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.82 -27.59 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.99 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -43.95 88.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.8 m -109.86 15.05 22.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.336 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.8 t 51.06 18.31 0.54 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -134.97 176.61 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 12.2 m-85 -91.02 160.13 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -141.95 140.5 32.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -57.58 162.78 2.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -27.1 62.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -4.09 43.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.508 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -79.97 -34.51 38.61 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.743 0.306 . . . . 0.0 110.793 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.429 ' CE1' ' HD3' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -146.86 159.62 43.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.71 37.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.34 -173.38 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.15 -28.82 28.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.212 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -65.07 155.23 35.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.756 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -149.73 33.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -154.27 49.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.66 176.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.59 -33.6 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -59.16 124.38 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 74.61 -61.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -47.83 -46.62 31.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.275 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.748 HD12 HD11 ' A' ' 53' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.17 83.11 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.748 HD11 HD12 ' A' ' 51' ' ' LEU . 1.9 mt -134.14 20.13 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -78.6 122.14 25.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.972 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -60.05 -30.55 69.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG11 ' CG1' ' A' ' 85' ' ' VAL . 19.5 t -63.78 120.2 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.144 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.42 159.96 29.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 61.92 22.81 13.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.3 t -78.12 128.91 34.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.805 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.9 p -118.26 24.99 10.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.441 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.13 -165.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -139.39 155.88 47.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -152.64 31.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.68 -35.99 60.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -116.98 41.89 2.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.0 -173.53 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.49 179.03 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.88 -22.91 55.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -80.03 -35.87 36.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -80.56 -26.92 37.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.461 HH21 HD23 ' A' ' 51' ' ' LEU . 25.3 mtt180 -80.01 -33.25 39.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -68.31 -41.72 80.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -86.05 -15.9 39.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.313 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.52 53.86 3.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.005 0.431 . . . . 0.0 110.948 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.5 p -144.1 139.4 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.017 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.0 m -73.96 151.47 40.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.041 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.08 -39.7 95.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.466 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.8 t -67.91 -31.53 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.925 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -83.11 -27.71 29.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.21 -52.09 45.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -101.32 36.34 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -82.75 165.3 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -87.81 -35.92 17.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.9 p -171.29 104.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.512 ' CG1' HG11 ' A' ' 56' ' ' VAL . 6.1 t -87.27 157.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.429 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.5 OUTLIER -96.28 125.57 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.68 109.04 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 m 59.6 39.28 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.429 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.77 27.11 73.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.466 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tp -137.42 148.95 46.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.773 0.32 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -82.19 127.07 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.31 164.56 27.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.45 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 8.7 tpp85 -133.24 156.03 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -81.9 125.12 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.2 t -103.94 96.14 6.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.68 -26.93 64.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -42.31 89.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.7 m -113.11 16.96 19.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.426 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 t 49.35 20.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -135.68 178.25 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.78 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -94.79 160.27 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.158 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -143.69 178.75 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.954 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.86 141.61 49.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.802 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.15 -33.48 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -62.16 -24.23 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -79.97 -16.61 54.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.286 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 93' ' ' ARG . 5.4 m-85 -96.01 37.06 1.25 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.83 0.347 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -98.22 167.35 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 60.35 -176.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.73 -30.17 31.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.269 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -67.65 102.53 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 42.5 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.7 m -147.44 -79.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.4 t -165.95 172.81 11.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.947 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -121.43 21.97 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -68.29 0.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.985 0.421 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -107.07 -27.92 10.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -40.59 76.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.77 0.319 . . . . 0.0 111.151 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -141.44 79.21 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.442 HD21 ' CD2' ' A' ' 51' ' ' LEU . 1.2 mt -117.09 24.03 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.8 t -88.4 124.23 33.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -65.58 -30.47 71.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.671 ' HA ' HD21 ' A' ' 87' ' ' LEU . 22.1 t -59.47 137.84 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.04 158.5 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.76 25.46 15.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.211 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.38 137.68 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.338 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.1 t -113.83 -22.73 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.01 131.22 50.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -84.56 138.17 32.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.817 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.1 mtp -103.07 41.83 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -72.78 -55.31 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -92.48 52.38 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.66 140.65 29.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 165.14 22.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mp -54.75 -24.84 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 80.2 t80 -79.88 -39.9 29.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.801 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -76.36 -25.33 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -45.52 18.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -60.13 -48.05 83.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.402 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 14.8 m-70 -77.85 -20.06 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 63.69 62.38 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.861 0.362 . . . . 0.0 110.667 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.54 HG13 ' HB2' ' A' ' 80' ' ' ALA . 10.9 p -155.49 136.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 33.2 m -67.69 159.89 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.68 -39.13 90.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.589 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.611 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.6 t -73.21 -30.32 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.928 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -85.1 -27.16 26.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.013 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.54 ' HB2' HG13 ' A' ' 75' ' ' VAL . . . -90.02 12.74 16.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.653 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.48 28.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.09 -170.64 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.74 -31.16 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.77 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.561 ' HB3' HD11 ' A' ' 104' ' ' LEU . 1.2 p -172.66 109.0 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.444 HG11 HG11 ' A' ' 56' ' ' VAL . 5.6 t -89.57 157.62 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.036 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.0 OUTLIER -97.23 92.08 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.671 HD21 ' HA ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -107.91 116.79 32.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t 59.92 35.88 21.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.8 35.63 89.95 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.56 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -170.49 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.829 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.509 ' HB3' HD12 ' A' ' 104' ' ' LEU . 61.5 m-20 -123.42 85.36 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -103.94 166.66 10.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.93 143.26 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -71.99 117.7 13.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.5 t -96.36 103.71 15.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -65.0 -25.89 68.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.002 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.66 -41.58 81.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.092 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.8 m -118.43 2.4 11.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.417 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t 63.54 5.77 2.28 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -100.86 -170.02 1.79 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -118.2 122.35 42.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.734 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 8.5 m-70 -119.52 143.01 47.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.998 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.11 164.0 1.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 84' ' ' SER . 13.4 mt -75.78 -18.98 59.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.227 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -90.11 17.79 6.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.381 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -109.07 -30.33 8.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 27.9 m-85 -82.13 135.38 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -101.67 152.35 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 60.57 -163.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.75 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -94.26 39.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.183 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -102.25 137.98 39.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.07 35.45 1.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.447 ' HB2' HD22 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -138.82 160.07 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.004 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.56 -177.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.11 13.66 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -35.07 15.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.773 0.321 . . . . 0.0 110.791 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.81 -33.15 6.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 113' ' ' SER . 9.6 tp -71.01 -52.32 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.881 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.832 0.348 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.4 mmt-85 -78.26 98.9 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -128.47 -41.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 t -52.18 136.79 29.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -83.17 -28.41 29.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.693 HG11 HG11 ' A' ' 85' ' ' VAL . 9.5 t -57.96 143.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -86.92 160.5 18.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mtp-105 65.16 20.21 11.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.3 t -87.36 143.12 27.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.783 0.325 . . . . 0.0 110.805 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 p -140.82 26.61 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.219 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.11 126.39 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -69.86 115.34 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.5 mtp -98.45 33.89 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -82.92 -31.88 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -117.91 31.57 6.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.91 -178.92 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.57 170.01 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -9.45 58.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.369 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -79.92 -28.3 39.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -98.17 41.9 1.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -126.63 -56.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -58.54 -31.29 67.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.502 ' HB2' HG12 ' A' ' 75' ' ' VAL . 31.7 m-70 -86.52 -14.52 42.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? 63.0 33.06 15.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' A' ' 73' ' ' HIS . 9.7 p -138.97 145.42 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 p -94.94 176.43 6.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -68.66 -34.95 76.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.57 -29.46 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.241 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -106.49 -30.24 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.13 82.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -78.49 -30.85 47.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.58 168.89 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.06 -60.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.53 139.66 49.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.693 HG11 HG11 ' A' ' 56' ' ' VAL . 6.3 t -134.83 157.57 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.419 ' CZ ' ' HA2' ' A' ' 89' ' ' GLY . 1.1 t80 -84.41 98.17 9.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mp -115.45 116.56 28.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.61 34.37 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.419 ' HA2' ' CZ ' ' A' ' 86' ' ' PHE . . . 73.84 27.67 66.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.547 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.479 HD22 ' OD1' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -141.3 165.12 28.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.806 0.336 . . . . 0.0 110.851 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.07 103.51 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -118.26 146.91 43.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 18.9 mtm180 -110.93 132.95 53.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -63.53 120.34 11.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.7 t -103.75 107.29 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.62 -29.39 66.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -31.98 65.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 28.4 m -121.25 3.48 10.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.377 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.0 t 61.65 7.33 1.85 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.42 171.63 8.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.817 0.342 . . . . 0.0 110.74 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -86.07 152.74 22.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.025 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 7.0 m-70 -137.54 133.33 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.479 ' OD1' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -56.8 165.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 104' ' ' LEU . 7.5 mt -70.78 -29.99 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.24 15.34 10.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.329 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.7 -34.05 12.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 6.3 m-85 -83.04 160.77 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -68.86 -30.92 69.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -174.01 -77.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.46 29.35 5.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.157 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -64.97 112.53 3.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 28.05 3.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -164.42 29.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.281 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.5 -173.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -138.12 25.79 2.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.222 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.07 -36.58 14.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.5 -33.57 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 tp -64.99 -53.32 47.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.266 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.7 HD12 ' HG ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.759 0.314 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.93 79.77 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.7 ' HG ' HD12 ' A' ' 51' ' ' LEU . 75.8 mt -107.77 -30.05 8.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.965 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 t -58.32 129.25 41.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -67.84 -30.31 69.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.62 HG11 ' CG1' ' A' ' 85' ' ' VAL . 8.7 t -64.94 145.35 14.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -90.03 163.33 14.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 61.62 20.59 11.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.428 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -78.27 119.73 22.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 110.753 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.5 p -101.47 -28.82 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.872 ' HB2' HG21 ' A' ' 78' ' ' VAL . . . -56.83 136.64 55.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.54 115.31 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.85 29.88 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HE2' HD23 ' A' ' 51' ' ' LEU . 32.8 tttm -90.11 -38.24 13.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -104.01 61.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.51 ' HB3' ' HG3' ' A' ' 71' ' ' ARG . . . -99.28 146.1 26.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.059 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.22 172.87 11.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.31 -28.79 68.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -79.94 -30.0 39.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -89.14 -28.12 20.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.51 ' HG3' ' HB3' ' A' ' 66' ' ' ALA . 24.3 mtt180 -80.02 -36.86 35.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -62.67 -49.75 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.499 ' HB2' HG12 ' A' ' 75' ' ' VAL . 42.0 m-70 -77.08 -8.82 58.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.68 31.41 9.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.838 0.352 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.499 HG12 ' HB2' ' A' ' 73' ' ' HIS . 11.0 p -131.87 142.97 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.0 p -90.57 172.58 8.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.16 -35.84 82.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.253 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.872 HG21 ' HB2' ' A' ' 61' ' ' ALA . 22.2 t -58.13 -34.76 50.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.362 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.411 ' ND1' HG13 ' A' ' 85' ' ' VAL . 70.2 m-70 -100.26 -28.12 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.28 -30.47 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -92.7 -35.95 13.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.73 130.39 46.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.401 ' HA ' ' HG3' ' A' ' 93' ' ' ARG . 16.4 p -100.68 36.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.27 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.62 ' CG1' HG11 ' A' ' 56' ' ' VAL . 5.9 t -89.23 157.45 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.425 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 2.3 t80 -101.96 68.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.5 tp -91.97 123.11 35.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.9 m 60.37 32.61 20.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.425 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.35 35.33 90.08 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.445 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.486 HD22 ' OD1' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -145.19 154.16 42.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.814 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.515 ' CB ' HD22 ' A' ' 104' ' ' LEU . 12.6 m-80 -84.53 113.48 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -125.8 140.12 52.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.401 ' HG3' ' HA ' ' A' ' 83' ' ' SER . 7.3 ttm180 -110.89 125.17 53.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.71 93.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 39.5 t -76.97 101.82 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -66.09 -25.56 67.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -40.51 77.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 19.3 m -114.74 10.2 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.285 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.4 t 54.88 14.71 0.95 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -127.19 169.33 13.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.326 . . . . 0.0 110.776 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -86.58 146.9 26.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.043 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -132.17 150.64 52.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.773 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.486 ' OD1' HD22 ' A' ' 90' ' ' LEU . 7.3 t70 -59.51 152.32 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.515 HD22 ' CB ' ' A' ' 91' ' ' ASN . 15.8 tp -57.98 -22.53 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.15 41.26 1.04 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -139.74 25.9 2.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.041 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -150.41 95.35 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.78 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.97 172.32 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.43 -177.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.21 62.69 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.049 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.818 ' HD2' HD23 ' A' ' 118' ' ' LEU . 10.7 mmtm -132.18 148.58 52.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -121.12 37.91 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.407 ' HB2' HD22 ' A' ' 118' ' ' LEU . 4.3 m -164.03 177.65 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.36 155.88 11.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.912 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.55 29.13 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -90.14 -43.35 10.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.72 -36.28 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.818 HD23 ' HD2' ' A' ' 111' ' ' LYS . 3.4 tp -59.36 -39.74 84.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -76.88 81.12 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 mt -111.58 -30.39 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.29 131.79 51.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -68.36 -30.62 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.55 HG11 ' CE1' ' A' ' 79' ' ' HIS . 8.0 t -61.05 142.77 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -87.67 160.11 18.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 64.2 17.44 10.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.8 t -90.11 105.15 17.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.852 0.358 . . . . 0.0 110.673 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.3 p -98.63 30.03 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.289 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.98 158.27 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -100.26 146.34 27.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 46.0 mtp -135.02 35.22 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -59.83 -40.03 87.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.72 72.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.63 151.04 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 175.63 9.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 mp -72.15 -13.1 61.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.271 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -79.81 -28.55 40.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.743 0.306 . . . . 0.0 111.044 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -98.03 -29.78 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.7 mtp85 -80.06 -33.63 38.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -74.8 -34.59 62.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -92.36 -12.9 31.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.311 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 32.16 12.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.808 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.8 p -134.22 119.02 29.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.8 p -71.91 173.78 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.41 -34.76 76.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.523 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 22.5 t -59.03 -30.07 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.55 ' CE1' HG11 ' A' ' 56' ' ' VAL . 60.6 m-70 -105.29 -27.95 11.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.07 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.78 -32.53 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -96.42 -25.58 15.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -56.17 -22.43 28.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.411 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 70.14 -66.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 p -101.79 128.51 48.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG11 HG11 ' A' ' 56' ' ' VAL . 6.1 t -126.77 157.6 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.411 ' CZ ' ' O ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -95.98 82.09 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 tp -98.96 123.35 43.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.013 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m 57.52 24.8 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.411 ' O ' ' CZ ' ' A' ' 86' ' ' PHE . . . 94.36 -36.13 3.9 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.648 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.62 172.09 13.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -107.12 119.75 40.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.714 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.83 138.73 50.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 15.9 mmm-85 -97.28 153.14 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -76.9 110.46 11.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.3 t -91.37 98.9 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -27.22 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -40.78 83.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 25.9 m -113.81 15.98 18.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.288 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t 49.58 19.95 0.44 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -135.25 -178.72 5.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.877 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -95.51 161.17 14.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 8.4 m-70 -145.12 149.03 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -57.34 153.8 11.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.975 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tp -65.97 -26.69 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.009 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -84.36 4.07 32.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.78 -36.67 17.16 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.872 0.368 . . . . 0.0 110.987 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 12.9 m-85 -82.21 149.77 27.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.66 126.06 34.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 64.2 -79.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -167.62 34.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -58.81 163.78 3.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.59 25.99 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.8 168.06 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.0 178.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -132.53 29.68 4.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.16 -66.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -106.78 -29.97 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -40.61 84.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.852 0.358 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.428 ' O ' HD23 ' A' ' 53' ' ' LEU . 17.3 mmm180 -115.3 101.23 8.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 52' ' ' ARG . 2.7 mt -142.26 22.79 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.93 144.09 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -89.63 -29.82 18.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.982 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.437 HG11 HG11 ' A' ' 85' ' ' VAL . 15.3 t -57.97 143.65 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.218 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -89.99 157.31 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? 61.2 27.33 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.6 t -78.76 129.51 34.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.1 t -113.48 -22.25 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.444 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.63 144.06 56.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -90.69 138.61 31.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.0 mtp -106.42 31.38 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -31.71 50.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -131.17 77.92 1.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.1 155.74 27.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 159.21 18.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -25.86 63.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -79.9 -28.7 39.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -97.65 36.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -120.34 -69.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -57.63 -31.61 66.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -72.76 -20.77 61.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mttt 61.57 46.6 7.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.805 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 p -146.92 144.28 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 29.4 m -80.67 156.3 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -61.72 -40.91 96.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.63 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.75 -30.8 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -83.42 -29.69 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.98 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.99 10.5 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.66 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -150.24 28.8 0.73 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.763 0.316 . . . . 0.0 110.993 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.99 178.08 6.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 -31.18 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 98.4 p -166.61 93.6 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.437 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -79.91 157.61 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.417 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.9 OUTLIER -93.96 127.35 39.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.26 111.82 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.736 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.15 23.56 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.417 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 94.36 -35.02 4.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.693 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tp -79.99 156.38 27.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -79.88 133.65 36.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.18 176.07 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.434 ' HB3' ' CD2' ' A' ' 107' ' ' PHE . 1.3 mmm180 -159.84 161.96 34.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -90.09 141.06 29.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.3 t -116.02 100.79 8.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -26.23 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.799 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -47.88 80.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.9 m -116.51 14.72 15.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.177 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t 46.66 23.3 0.23 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -110.56 -174.18 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -116.72 105.75 12.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.666 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -105.01 159.01 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.039 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -55.85 161.88 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.218 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.88 -25.65 63.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.037 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -26.26 12.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.082 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -79.86 -30.66 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.827 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' A' ' 93' ' ' ARG . 91.3 m-85 -103.0 29.64 5.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.95 160.41 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 62.55 -80.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.1 -179.22 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm 60.92 113.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.16 35.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.7 -174.38 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.7 175.68 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.808 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -127.46 19.35 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.271 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -67.64 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.943 0.402 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -98.5 -31.44 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -39.42 81.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.745 0.307 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.45 81.77 8.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mt -105.3 -21.71 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -53.25 141.14 24.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -76.64 -32.96 58.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.659 HG11 HG11 ' A' ' 85' ' ' VAL . 8.2 t -65.64 142.43 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.24 161.43 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.21 23.2 13.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.9 t -73.39 116.94 14.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.759 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.2 p -88.32 -30.97 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.585 ' HB2' HG21 ' A' ' 78' ' ' VAL . . . -59.88 136.4 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.13 161.25 18.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.26 32.71 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -60.41 -30.86 69.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -130.72 77.77 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.61 154.84 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -101.39 175.04 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.23 -28.18 66.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -79.93 -23.24 41.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -109.57 46.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.915 0.388 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -124.88 -78.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -26.37 61.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -79.0 -27.27 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt 62.21 46.58 6.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.4 p -145.37 151.62 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.3 p -100.53 170.76 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.44 -35.78 81.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.678 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 23.6 t -58.1 -33.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.256 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -102.23 -28.8 12.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.976 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.2 -30.72 66.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -123.69 39.1 4.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.91 -175.44 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 p -105.72 -32.84 8.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.6 p -169.87 123.49 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.659 HG11 HG11 ' A' ' 56' ' ' VAL . 5.7 t -114.66 157.52 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.05 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.439 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.4 OUTLIER -102.75 83.27 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 tp -93.34 117.62 30.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.2 t 59.77 33.32 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 68.59 28.1 73.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.547 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.46 165.52 24.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -91.87 115.96 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -137.79 156.26 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.412 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 0.7 OUTLIER -133.57 142.62 48.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.82 99.38 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.59 99.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -25.5 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -50.32 74.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 4.0 m -109.8 7.66 24.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.264 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.14 13.74 1.29 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.573 0.225 . . . . 0.0 111.575 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 98' ' ' CYS . 1.0 OUTLIER -101.08 -175.79 2.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.741 0.305 . . . . 0.0 110.945 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -111.72 102.37 10.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -103.45 151.29 22.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -63.2 159.71 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.15 -32.06 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -61.32 -24.35 66.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -80.04 -30.77 39.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 93' ' ' ARG . 2.6 m-85 -64.99 -38.77 92.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t70 59.93 163.96 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -73.4 -36.07 65.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.94 -48.78 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -86.61 169.03 13.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.3 40.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.69 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.39 -173.06 3.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -96.16 -45.87 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -58.22 124.45 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 75.05 -61.75 0.47 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -43.25 19.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.039 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.848 0.356 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 91.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 63' ' ' MET . 62.6 mt -114.07 -33.5 5.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.29 141.4 46.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -83.39 -30.91 27.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 85' ' ' VAL . 6.8 t -61.22 145.8 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.069 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.06 161.68 16.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.36 17.8 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.3 t -81.99 132.72 35.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 t -127.37 24.24 6.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.05 165.26 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -95.82 143.14 27.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.462 ' HB3' HD12 ' A' ' 53' ' ' LEU . 1.8 mtp -139.77 34.49 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -66.68 -36.51 82.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -140.93 76.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.1 -174.04 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.29 161.34 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.37 -23.95 62.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -79.89 -35.51 37.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -85.49 -28.49 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -31.48 39.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -74.59 -37.84 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -86.41 -12.16 49.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.338 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 mttt 63.99 35.29 10.77 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.54 143.76 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.8 p -94.92 173.45 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.88 -36.06 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.7 t -56.69 -30.25 31.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -103.51 -27.82 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.72 -30.54 70.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.003 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -112.05 30.6 6.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.99 130.95 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 m -71.28 -31.48 67.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.7 p -158.59 100.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -83.57 157.68 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.6 OUTLIER -106.45 85.87 2.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.17 116.77 32.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 59.54 32.06 21.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 69.99 27.26 73.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tp -130.96 149.91 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -79.87 116.14 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -134.06 160.7 36.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.29 153.14 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -81.14 115.11 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 99' ' ' SER . 50.3 t -89.68 96.88 10.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -59.18 -25.11 63.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -49.4 77.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.176 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.0 m -108.81 -3.68 17.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.447 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 95' ' ' CYS . 3.1 t 71.17 -2.9 2.21 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -93.77 -174.03 3.33 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.951 0.405 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -113.98 123.19 49.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.728 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -119.1 163.11 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.61 162.8 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 tp -75.65 -28.57 58.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -21.36 47.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -79.84 -27.81 40.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -103.11 43.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -129.45 36.21 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.95 -157.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.542 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -91.07 38.34 0.96 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.833 0.349 . . . . 0.0 111.223 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -151.1 87.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.24 54.64 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.971 0.415 . . . . 0.0 110.987 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m 179.66 54.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.98 -174.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.974 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.23 -34.14 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 20.7 ttm180 -59.76 130.38 46.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 116' ' ' ARG . 1.1 mmm180 68.34 -63.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.29 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -43.7 17.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.132 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.913 HD12 HD11 ' A' ' 53' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -94.24 88.98 5.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.913 HD11 HD12 ' A' ' 51' ' ' LEU . 1.8 mt -133.02 21.57 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.069 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -85.16 128.49 34.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -60.28 -35.89 76.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.738 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.565 HG11 HG11 ' A' ' 85' ' ' VAL . 13.7 t -62.7 124.41 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.059 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -78.98 159.64 27.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? 63.22 22.55 13.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.33 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.6 t -85.24 132.95 34.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.695 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -120.28 28.6 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.516 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.12 137.25 32.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.49 120.33 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.2 mtp -106.63 38.12 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -59.49 -34.38 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -133.83 79.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.77 169.17 9.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.57 166.4 17.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.74 -17.98 64.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.256 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -79.9 -28.86 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -97.59 -28.87 13.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -80.11 -31.2 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -75.25 -51.28 13.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.036 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -73.21 -8.68 56.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.415 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mttm 63.27 46.49 4.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.907 0.384 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 76' ' ' CYS . 11.2 p -135.72 158.77 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.487 ' N ' HG22 ' A' ' 75' ' ' VAL . 27.7 m -96.0 148.94 22.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.033 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.74 -32.66 71.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.469 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.793 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 22.9 t -75.46 -32.5 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.765 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -81.54 -28.51 33.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.78 96.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.208 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.25 45.98 2.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.793 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.96 175.9 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.85 73.41 2.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 p 62.98 109.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.565 HG11 HG11 ' A' ' 56' ' ' VAL . 5.6 t -90.8 157.62 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.427 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 5.3 t80 -90.77 89.33 7.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 tp -112.03 124.72 53.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.64 20.34 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.261 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.427 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 93.41 -38.31 3.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.725 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.05 167.76 18.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.994 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -87.95 113.21 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -123.33 123.8 41.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -105.1 171.6 7.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -88.66 158.03 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.4 t -131.64 94.47 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.648 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -23.44 27.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.26 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -54.13 49.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.171 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.8 m -105.46 -4.68 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.452 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t 69.61 -1.0 2.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.36 -171.23 2.59 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -110.04 128.96 55.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -127.29 147.56 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.019 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -64.68 166.58 8.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.068 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.69 -31.93 63.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -25.59 65.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.8 -30.85 40.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -82.11 149.56 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -162.88 175.01 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 60.52 176.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.65 -31.14 69.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -78.44 123.99 27.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 52.98 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.51 175.58 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 161.19 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.067 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -29.9 24.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 132.34 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 77.18 -59.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.978 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.34 -58.47 6.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.081 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.55 -58.43 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 108.12 107.75 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -28.13 41.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.9 156.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.49 -71.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 60.24 179.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -130.18 159.0 38.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -130.61 -56.14 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -110.91 165.78 11.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.4 m -113.15 157.88 21.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.3 m -88.32 139.97 29.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -173.47 -127.85 1.02 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.542 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.887 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.789 0.328 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -99.83 82.68 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 mt -109.73 -22.44 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.2 t -53.67 126.89 23.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.893 0.377 . . . . 0.0 111.119 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -66.7 -31.23 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 85' ' ' VAL . 24.1 t -60.49 115.95 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.08 154.46 41.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 60.76 29.55 19.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.97 148.65 44.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.1 p -110.16 -32.86 6.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.2 137.93 58.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -92.21 135.25 34.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mtp -106.54 36.23 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -65.47 -34.92 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -142.22 83.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.15 176.98 6.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.19 172.86 8.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -31.21 69.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -80.82 -29.69 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -98.16 32.5 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -125.99 -51.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -66.07 -33.3 75.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -89.31 -25.43 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt 65.45 55.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.806 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 p -143.52 141.54 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.0 m -73.11 152.69 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.92 -33.87 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.608 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 30.7 t -78.81 -30.87 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -83.02 -28.99 29.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.68 -56.38 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -100.51 41.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -81.53 177.06 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.37 -29.89 9.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -172.23 102.8 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -96.75 157.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.411 ' N ' HG12 ' A' ' 85' ' ' VAL . 5.1 t80 -96.04 105.98 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.3 122.01 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 59.02 25.6 14.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 86' ' ' PHE . . . 90.44 -46.48 3.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.664 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.89 164.56 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.387 . . . . 0.0 110.951 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -80.03 145.24 32.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -150.67 161.45 42.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.448 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 3.3 mmm180 -139.33 147.06 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.02 128.54 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.006 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.8 t -110.3 97.21 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -28.73 67.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -48.1 77.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 6.8 m -111.18 20.55 17.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.246 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 t 44.27 25.12 0.1 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -135.83 -173.59 3.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -106.79 156.11 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 19.2 m-70 -140.46 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -68.1 148.57 50.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.9 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -22.05 64.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.127 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.86 -41.26 26.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.448 ' CE2' ' HB2' ' A' ' 93' ' ' ARG . 75.3 m-85 -76.58 159.5 30.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -172.93 -178.47 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -60.34 -178.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.32 -78.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -107.12 146.31 31.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.54 44.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -146.23 56.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.43 164.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.572 ' HG2' ' HB2' ' A' ' 119' ' ' ALA . 1.2 ttp180 -126.31 23.88 6.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -90.14 -70.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.24 -30.87 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -43.99 92.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.572 ' HB2' ' HG2' ' A' ' 115' ' ' ARG . . . -60.27 100.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -92.19 118.12 5.45 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -63.58 119.91 10.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.771 0.319 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.58 85.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.808 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -158.29 -179.86 8.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -142.58 -49.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.18 92.81 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -149.36 -68.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -116.19 -36.27 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.39 100.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 48.2 t -87.7 -71.19 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 136.22 -97.63 0.27 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.929 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 51' ' ' LEU . 3.5 mm? . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.812 0.339 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -100.34 82.2 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -110.79 -25.89 9.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -54.71 123.18 12.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.864 0.364 . . . . 0.0 110.998 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -60.28 -30.99 69.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.697 ' HA ' HD21 ' A' ' 87' ' ' LEU . 7.5 t -62.56 143.42 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.02 160.94 16.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 62.08 23.09 13.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.363 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.2 t -84.94 108.48 17.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.7 p -104.41 31.0 4.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.34 -171.91 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -121.3 109.09 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.3 mtp -98.94 30.96 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -75.65 -54.26 7.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.753 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -101.84 46.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.1 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -85.46 164.95 17.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -21.5 64.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 85.3 t80 -79.94 -53.43 6.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.352 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -62.35 -29.45 70.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.06 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -79.95 -30.99 39.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -48.74 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.409 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 45.0 m-70 -79.47 -3.06 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.493 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mttt 61.49 43.38 10.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.003 0.43 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.9 p -147.4 147.71 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.9 p -97.23 171.57 8.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -68.82 -33.39 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.606 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 29.6 t -59.9 -29.71 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.436 ' CD2' HG11 ' A' ' 56' ' ' VAL . 18.5 m80 -105.52 -30.72 9.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.79 -31.65 68.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -115.02 29.56 7.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.12 178.13 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -104.36 -32.62 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.7 p -162.75 141.0 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.546 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -133.31 157.44 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.051 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.413 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.9 OUTLIER -104.67 84.69 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' A' ' 56' ' ' VAL . 1.3 mt -98.62 121.64 40.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m 59.76 42.42 16.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.413 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 60.76 26.71 65.43 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.496 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 tp -139.9 148.08 41.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -80.37 123.74 28.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -142.27 148.06 37.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -113.31 160.64 18.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -82.15 112.98 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.015 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.4 t -87.71 105.98 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.665 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -23.0 66.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -39.63 90.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.6 m -117.45 17.74 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.393 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t 45.69 23.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -135.09 173.21 11.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.805 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -85.49 154.97 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.08 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -142.42 168.9 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.4 148.37 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.6 tp -69.14 -13.67 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.362 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -90.12 17.92 6.46 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.486 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -107.16 -30.8 8.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -102.6 152.82 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.53 162.83 38.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.009 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.16 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.983 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.56 41.19 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.4 97.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.07 27.39 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 m 60.74 175.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.41 178.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.38 23.35 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -90.0 -66.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -91.37 -30.44 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -50.77 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.33 97.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -70.48 66.19 0.77 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -122.47 94.18 4.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -105.62 164.13 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -117.01 77.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.5 -47.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.18 132.02 53.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.94 78.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.74 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.46 54.17 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.91 82.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.974 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.8 m -104.88 -60.43 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 139.22 -28.55 2.58 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.975 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' O ' HD23 ' A' ' 53' ' ' LEU . 5.1 mpt_? -82.31 102.37 11.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 52' ' ' ARG . 2.3 mt -142.18 23.6 2.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.79 131.86 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -67.67 -29.62 68.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.789 HG11 ' CD2' ' A' ' 79' ' ' HIS . 10.8 t -65.32 144.94 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -90.07 161.24 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.033 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 12.4 mtm105 61.85 22.62 13.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.5 t -86.21 127.89 34.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.8 p -140.44 29.43 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.93 160.09 16.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.86 115.47 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.84 32.01 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.45 -47.39 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.16 56.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.99 156.17 27.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -175.05 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.11 -26.47 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -79.96 -29.54 39.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -98.63 33.67 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.59 -78.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -58.16 -26.57 62.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -77.22 -22.12 52.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.2 mttm 62.33 44.9 7.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 p -146.41 140.99 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -91.1 173.74 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.63 -29.39 67.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.179 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.51 -29.67 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.278 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.789 ' CD2' HG11 ' A' ' 56' ' ' VAL . 16.4 m80 -104.57 -30.26 10.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.981 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.64 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.18 33.45 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.42 147.14 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -51.34 24.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.0 p -159.26 113.67 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -98.02 157.12 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -97.04 96.33 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 87' ' ' LEU . 8.5 tp -114.89 128.48 56.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t 61.09 32.52 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.18 29.88 73.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.16 158.5 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.819 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -80.1 125.03 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -140.43 119.43 12.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.45 ' CG ' ' CE2' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -89.84 160.0 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -79.03 113.46 17.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.6 t -84.25 106.18 15.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.664 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.0 -15.2 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.299 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.92 -36.94 67.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.667 0.27 . . . . 0.0 111.301 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.0 m -122.18 -0.74 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.519 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.76 3.27 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -96.33 -170.18 2.05 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -115.69 119.89 37.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -118.35 158.08 25.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.42 161.19 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.025 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.39 -28.59 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.16 16.4 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.445 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -109.78 31.08 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.936 0.398 . . . . 0.0 110.949 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.45 ' CE2' ' CG ' ' A' ' 93' ' ' ARG . 97.6 m-85 -140.69 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.52 153.74 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -34.58 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.25 -45.8 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -95.81 128.47 42.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -98.35 33.86 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -131.44 168.76 17.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.22 176.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.965 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.43 ' HG3' ' HB2' ' A' ' 119' ' ' ALA . 6.6 ttt-85 -130.28 17.0 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.38 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -90.12 -36.02 15.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.69 -31.86 7.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -43.81 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.43 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . . . -82.9 -44.61 15.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.73 110.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -93.22 101.83 14.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -80.79 88.13 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -74.52 121.55 21.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -161.0 161.48 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -108.33 128.49 54.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.03 124.41 44.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -92.27 154.98 18.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.21 108.8 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.7 m 60.59 177.58 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 105.71 -137.2 13.64 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.834 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.74 0.305 . . . . 0.0 111.276 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -111.19 82.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.617 HD12 ' CB ' ' A' ' 63' ' ' MET . 5.2 mt -94.8 -28.36 15.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.174 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.6 t -57.55 139.34 53.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -76.94 -31.49 56.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.6 HG11 HG11 ' A' ' 85' ' ' VAL . 8.5 t -60.77 145.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -90.01 160.3 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.02 20.32 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.316 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.7 t -90.1 124.28 34.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.81 0.338 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -111.78 29.63 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.98 152.5 21.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.071 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.42 130.07 46.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.617 ' CB ' HD12 ' A' ' 53' ' ' LEU . 43.3 mtp -125.79 37.62 4.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -59.93 -42.71 94.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -136.96 74.24 1.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.7 -175.83 3.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -79.51 164.2 24.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.41 -18.06 63.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.204 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.433 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 86.5 t80 -79.97 -38.77 31.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.777 0.322 . . . . 0.0 110.956 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -77.96 -28.87 49.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.066 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -80.0 -31.17 39.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 -76.12 -31.36 58.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.433 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 21.6 m-70 -94.81 -9.42 34.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.405 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 mttp 61.59 42.56 10.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.9 p -145.07 143.93 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.0 p -92.57 169.0 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.34 -34.58 78.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.1 t -58.99 -38.14 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.357 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -96.77 -30.26 13.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.39 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.73 31.45 6.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.94 174.36 7.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.5 t -102.82 -30.75 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.8 p -165.49 118.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.6 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -104.95 157.57 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.411 ' N ' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -101.59 85.98 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.804 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.478 HD12 HG13 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -98.22 117.85 33.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.5 m 58.73 23.42 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.401 ' O ' ' CE1' ' A' ' 86' ' ' PHE . . . 95.21 -28.6 11.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.592 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.04 149.52 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.435 ' HB2' HD22 ' A' ' 104' ' ' LEU . 13.1 m-20 -80.26 117.08 20.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -120.36 147.46 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 2.1 tpp180 -114.62 144.87 42.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.785 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -70.16 108.84 4.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 48.7 t -92.34 101.05 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -65.03 -26.31 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -41.69 80.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.994 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.1 m -113.96 13.57 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.306 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t 52.11 17.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -131.26 176.64 8.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.76 0.314 . . . . 0.0 110.911 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -92.87 155.34 17.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.145 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 9.2 m-70 -141.37 166.27 25.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.765 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.48 150.15 47.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.731 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' ' 91' ' ' ASN . 2.8 tp -58.53 -30.64 67.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -65.38 -17.01 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -96.72 34.06 1.74 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 93' ' ' ARG . 84.2 m-85 -148.59 119.3 7.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.12 165.93 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -63.94 -33.65 76.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.92 -46.7 5.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 137.41 49.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 40.68 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.708 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.477 ' HB2' ' HG ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -141.1 -166.45 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.91 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -169.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.698 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.17 -28.9 9.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.952 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.98 127.58 33.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.62 -60.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.25 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.477 ' HG ' ' HB2' ' A' ' 113' ' ' SER . 0.1 OUTLIER -46.7 -49.01 20.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.259 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.0 -168.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -126.24 -96.35 1.01 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.395 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -123.31 109.77 14.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -74.82 177.09 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -138.66 95.49 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -118.22 -56.18 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -133.41 29.84 3.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.49 143.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 166.68 19.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.9 p -61.53 115.28 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.3 p -123.03 -42.59 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -56.28 136.05 49.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.634 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.864 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.488 HD12 ' CG ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.803 0.335 . . . . 0.0 111.182 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 90.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.488 ' CG ' HD12 ' A' ' 51' ' ' LEU . 81.4 mt -112.08 -28.02 8.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 t -56.07 129.52 40.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.01 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.34 -26.07 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.642 HG11 HG11 ' A' ' 85' ' ' VAL . 10.0 t -57.53 143.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.178 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -86.78 160.68 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 21.64 12.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.304 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.2 t -89.43 142.55 27.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.878 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.4 p -142.15 25.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.08 122.7 33.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -63.55 112.33 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.0 mtp -98.15 35.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -70.99 -31.33 67.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -110.31 41.56 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.93 178.61 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.63 -179.32 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.007 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.68 -22.68 67.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -79.87 -29.15 39.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.02 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -97.95 -29.13 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -79.98 -47.18 15.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -59.55 -41.93 91.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -82.99 -11.76 57.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.272 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.3 mttp 61.13 42.03 12.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.919 0.39 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -146.21 144.49 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 p -95.81 176.28 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.58 -31.27 69.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.126 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.3 t -61.92 -28.44 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.362 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.51 ' CD2' HG11 ' A' ' 56' ' ' VAL . 34.7 m80 -110.19 -29.9 7.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -33.89 72.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -86.12 -40.12 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.38 70.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.52 -67.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.8 p -77.27 106.09 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.642 HG11 HG11 ' A' ' 56' ' ' VAL . 7.1 t -121.85 157.52 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.412 ' N ' HG12 ' A' ' 85' ' ' VAL . 1.7 t80 -88.78 90.62 8.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -116.53 133.88 55.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.795 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.4 m 60.34 39.6 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.81 27.98 65.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.453 HD22 ' OD1' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -151.46 166.68 30.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' A' ' 104' ' ' LEU . 18.6 m120 -86.82 115.72 24.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -121.79 162.99 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -126.28 155.52 41.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.787 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -75.14 124.71 27.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 50.9 t -106.03 99.75 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.814 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -26.13 67.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -44.35 94.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.019 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.0 m -111.52 15.47 21.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.474 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 t 50.67 18.63 0.5 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -132.84 -178.59 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.779 0.323 . . . . 0.0 110.758 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -95.8 159.39 15.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.168 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 9.2 m-70 -144.34 160.36 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.453 ' OD1' HD22 ' A' ' 90' ' ' LEU . 18.1 t0 -63.27 158.76 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.431 HD12 ' HB2' ' A' ' 91' ' ' ASN . 5.8 mt -70.66 -15.78 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.274 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.18 18.81 5.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.379 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -111.42 -33.99 6.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.763 0.316 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 21.7 m-85 -89.85 160.57 16.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.93 165.23 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.03 -31.32 69.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.2 -54.21 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -71.26 134.6 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.801 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -117.36 42.65 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.16 -167.06 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.99 157.67 20.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 21.4 mtm105 -81.72 -27.96 33.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.72 135.32 49.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.742 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 71.6 -63.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.89 -61.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 115' ' ' ARG . . . -72.95 120.9 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 103.26 88.68 2.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -121.18 -66.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -102.95 123.25 46.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.0 -39.21 5.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.03 87.88 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -93.01 96.07 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.61 102.91 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -130.61 -178.46 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.2 m -119.21 39.71 3.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.25 129.84 41.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 136.74 -77.52 0.35 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.56 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.846 0.355 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.36 74.57 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.64 -29.32 7.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.26 122.88 12.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -60.01 -28.76 67.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.553 ' CG1' HG11 ' A' ' 85' ' ' VAL . 4.1 t -64.19 145.78 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.12 160.24 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.89 19.48 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.288 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.9 t -90.06 138.29 31.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.1 t -137.17 35.78 2.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.206 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.08 148.95 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -89.98 119.53 30.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.3 mtp -108.07 32.51 4.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -75.12 -34.25 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -124.38 55.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.51 174.47 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -84.88 167.91 15.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -20.48 64.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -79.82 -43.39 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -74.13 -25.26 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -79.93 -44.5 20.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 ttm-85 -59.07 -50.32 74.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -73.48 -12.1 60.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.335 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp 61.7 53.48 3.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 p -154.39 148.11 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.5 p -93.71 158.57 15.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.85 -32.84 72.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.275 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.614 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.6 t -56.12 -42.77 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.45 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.454 ' CD2' HG11 ' A' ' 56' ' ' VAL . 17.8 m80 -90.2 -29.4 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.979 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.55 -29.21 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.66 40.22 3.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.72 -30.22 18.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m 69.59 10.23 7.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.476 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 p -179.64 113.56 0.05 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.685 0.279 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.553 HG11 ' CG1' ' A' ' 56' ' ' VAL . 3.9 t -131.22 156.7 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.201 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.412 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.3 t80 -99.64 92.36 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tp -107.06 111.25 23.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.47 35.68 24.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.412 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 73.05 26.79 69.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.73 149.27 43.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.606 ' CB ' HD12 ' A' ' 104' ' ' LEU . 5.1 m120 -79.95 122.71 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -132.84 161.79 33.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.441 ' HB2' ' CE1' ' A' ' 107' ' ' PHE . 37.6 mtp180 -130.7 151.69 50.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.795 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -76.14 109.0 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 46.7 t -92.58 101.18 13.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -63.79 -26.97 68.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' OE1' HD22 ' A' ' 118' ' ' LEU . 5.7 mt-30 -59.09 -41.79 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.066 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.9 m -113.61 16.51 18.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.405 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t 49.26 20.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -134.73 -177.41 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.698 0.285 . . . . 0.0 110.778 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -99.47 159.98 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.191 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -143.34 178.91 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.16 150.34 45.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.606 HD12 ' CB ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -59.05 -21.29 58.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -88.3 50.36 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.975 0.417 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -155.4 26.55 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 93' ' ' ARG . 25.9 m-85 -155.08 64.08 0.64 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.702 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -178.2 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.069 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.46 -33.28 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.51 -56.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.743 ' HG2' HD23 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -92.13 146.07 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -107.04 35.05 3.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 m -152.88 -59.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' CYS . . . . . 0.401 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 0.5 OUTLIER -175.11 179.36 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.818 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.552 ' HG2' ' HB2' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -130.62 26.65 5.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -54.32 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.5 ttm105 -111.88 -33.86 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.743 HD23 ' HG2' ' A' ' 111' ' ' LYS . 5.3 tp -58.66 -38.61 78.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.552 ' HB2' ' HG2' ' A' ' 115' ' ' ARG . . . -60.38 -30.65 69.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 103.04 -99.28 1.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -121.68 123.3 41.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -106.35 56.46 0.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -162.48 128.57 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -110.88 126.7 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.78 -169.01 1.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 62.38 152.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.976 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -65.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.59 126.37 10.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.0 p -111.79 129.97 55.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 138.51 -69.21 0.49 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.784 0.326 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -144.67 77.06 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 mt -108.74 -28.14 9.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.1 t -56.86 132.33 52.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.085 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -81.64 -25.83 35.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.56 HG11 HG11 ' A' ' 85' ' ' VAL . 21.8 t -56.88 123.88 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.201 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.74 157.21 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.95 25.99 15.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.7 t -74.44 133.64 42.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.829 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 p -132.04 28.51 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.263 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.93 179.76 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.011 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -108.0 121.94 45.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.3 mtt -120.29 31.09 6.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -65.09 -43.02 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -136.33 80.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.19 161.68 17.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -79.25 175.91 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -25.28 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.441 ' CZ ' ' NE2' ' A' ' 73' ' ' HIS . 73.9 t80 -79.89 -52.82 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -64.46 -18.47 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.91 -32.56 40.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -46.11 60.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.441 ' NE2' ' CZ ' ' A' ' 69' ' ' TYR . 77.9 m-70 -80.0 -25.58 40.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.62 53.97 1.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.957 0.408 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 ' HB2' ' A' ' 80' ' ' ALA . 9.8 p -150.94 138.6 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.5 m -72.35 160.58 32.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -62.23 -32.02 72.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.835 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 5.2 t -76.53 -30.8 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.506 ' HB3' HG21 ' A' ' 56' ' ' VAL . 31.4 m170 -89.86 -22.96 21.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.434 ' HB2' HG13 ' A' ' 75' ' ' VAL . . . -85.16 -44.06 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.244 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.05 26.43 4.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.835 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.08 155.63 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 p -85.53 -31.51 22.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.71 106.22 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.56 HG11 HG11 ' A' ' 56' ' ' VAL . 6.1 t -96.65 157.59 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.015 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.43 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 2.1 t80 -90.05 79.18 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.0 122.7 41.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.14 32.78 21.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.98 27.4 73.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.623 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.43 -173.85 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -114.09 110.87 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -138.14 145.66 41.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 107' ' ' PHE . 12.3 ttm-85 -111.94 136.03 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.2 112.09 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.61 98.17 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.43 -26.68 68.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.71 72.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.027 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.6 m -119.34 12.99 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.343 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 t 54.35 15.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -129.91 178.62 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.83 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -95.88 156.7 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -141.67 154.05 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.1 154.3 27.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.83 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.21 -27.58 64.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -73.45 -8.29 55.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -96.32 29.8 2.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 35.9 m-85 -145.0 68.07 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -58.87 142.64 50.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.026 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 58.57 -177.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.43 65.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.044 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -125.78 124.78 41.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.3 mtt85 -97.1 40.49 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.96 171.37 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.16 -172.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.517 ' HG3' ' HB2' ' A' ' 119' ' ' ALA . 30.6 ttt-85 -138.14 27.84 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.232 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -90.05 -66.34 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.048 0.452 . . . . 0.0 110.894 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -103.55 -29.5 11.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -58.18 -39.83 79.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.517 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . . . -65.72 -169.28 0.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.62 -159.44 26.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.533 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.68 160.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -128.57 179.11 5.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -108.68 -38.15 5.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.72 40.99 15.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.764 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.0 -53.58 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.48 -49.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -120.85 131.44 54.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.08 86.54 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.5 t -169.47 142.36 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -172.21 33.86 0.13 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.615 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.211 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.45 88.07 7.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.77 HD11 HD22 ' A' ' 51' ' ' LEU . 2.1 mt -138.0 22.92 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.27 134.3 33.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -65.58 -30.47 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 85' ' ' VAL . 5.6 t -69.45 144.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.93 159.85 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.001 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 61.51 25.12 15.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.331 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.0 t -81.6 101.55 10.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.346 . . . . 0.0 110.751 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 p -98.45 27.24 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.07 159.7 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -99.13 118.52 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.33 31.05 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -31.4 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -121.99 68.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.79 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.72 -175.84 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -110.31 -179.89 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.6 mt -71.95 -19.7 61.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.161 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -79.89 -54.76 5.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.979 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' A' ' 77' ' ' GLU . 10.0 m170 -63.94 -27.73 69.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -87.4 6.78 32.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.422 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 -32.19 8.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.536 ' HB2' HG12 ' A' ' 75' ' ' VAL . 78.9 m-70 -98.91 9.06 44.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.43 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.58 35.04 24.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 73' ' ' HIS . 11.1 p -138.48 148.95 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.5 p -95.51 174.23 7.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.821 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.401 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 21.0 tt0 -69.26 -29.23 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.63 -28.55 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -105.88 -30.35 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.095 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.87 82.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -111.93 31.47 6.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.9 170.75 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.18 -31.65 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.5 p -151.09 136.06 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 56' ' ' VAL . 6.0 t -141.88 157.42 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.434 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.5 t80 -99.89 126.4 46.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.87 118.32 7.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.6 m 59.66 32.34 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.434 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 70.81 34.87 66.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.99 142.57 21.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.764 0.316 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.554 ' CB ' HD12 ' A' ' 104' ' ' LEU . 92.2 m-20 -79.97 136.39 36.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -140.21 -177.75 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -142.79 151.89 41.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -80.86 96.11 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 35.7 t -82.0 103.08 11.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -65.68 -28.8 69.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -40.17 69.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.2 m -115.22 10.35 15.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.353 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.8 t 52.58 16.99 0.72 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -129.45 173.64 10.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.767 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -85.25 156.58 20.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -143.71 159.51 42.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.74 149.3 47.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.554 HD12 ' CB ' ' A' ' 91' ' ' ASN . 1.2 mt -61.27 -23.24 65.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -89.99 14.88 11.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.34 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -108.75 27.85 9.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.778 0.323 . . . . 0.0 111.029 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -147.33 59.71 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.01 158.63 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.99 -171.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.78 51.98 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -113.42 120.27 40.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -93.84 47.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.69 -173.17 4.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.48 169.46 11.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.0 ttp85 -107.64 24.9 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.316 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -43.85 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.042 0.449 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.08 -33.58 6.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.002 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -35.83 75.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.26 21.01 4.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.416 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -62.28 -28.64 71.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.377 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -66.28 -30.39 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 110.79 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.74 177.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.8 172.47 12.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.68 36.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -76.5 -175.39 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -107.39 -57.87 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -111.95 107.1 15.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -34.68 78.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 m -69.49 147.79 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.72 84.81 1.83 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.919 179.903 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -73.93 92.17 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.8 mt -117.5 -37.2 3.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.88 142.5 41.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -77.75 -34.39 52.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.493 ' HA ' HD11 ' A' ' 87' ' ' LEU . 10.8 t -60.15 142.62 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.15 158.71 19.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.82 22.21 12.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.318 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.1 t -89.95 111.15 22.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.814 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 t -103.45 31.03 4.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.91 132.46 35.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.68 109.45 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.1 mtp -101.89 31.3 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.964 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -84.93 -31.34 23.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -118.23 50.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.36 151.09 22.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 169.71 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.73 -15.42 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.278 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -79.82 -30.26 40.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -101.47 32.3 3.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -117.51 -66.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -26.47 39.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.461 ' HB3' HG12 ' A' ' 75' ' ' VAL . 17.8 m-70 -76.55 -18.53 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm 63.06 31.21 16.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.461 HG12 ' HB3' ' A' ' 73' ' ' HIS . 12.6 p -144.77 137.34 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.997 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -88.8 173.02 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -67.08 -29.58 69.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.212 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.58 -28.66 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.38 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.485 ' CG ' HG21 ' A' ' 56' ' ' VAL . 22.9 m80 -106.62 -30.68 8.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.052 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.39 -38.68 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.01 -20.89 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.8 131.24 35.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.861 0.363 . . . . 0.0 111.254 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -67.11 -30.22 70.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.1 p -157.92 139.02 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.425 HG11 HG11 ' A' ' 56' ' ' VAL . 6.0 t -125.81 157.44 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.3 OUTLIER -98.92 81.01 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.703 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 56' ' ' VAL . 2.4 tp -89.38 111.61 22.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.35 31.03 20.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 76.34 46.54 12.23 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.88 150.72 22.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.82 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.433 ' HB3' HD13 ' A' ' 104' ' ' LEU . 82.5 m-20 -81.27 120.14 24.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -136.4 163.04 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.403 ' O ' ' CD2' ' A' ' 101' ' ' PHE . 8.3 ttm180 -134.99 165.69 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -90.09 116.24 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 50.4 t -93.5 102.57 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.41 -28.2 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -41.5 86.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 27.4 m -113.49 12.86 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.434 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.1 t 52.12 17.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -130.6 -179.59 5.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.812 0.339 . . . . 0.0 110.771 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 93' ' ' ARG . 5.2 m-85 -93.1 158.45 15.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.06 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -144.39 145.97 32.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -58.93 156.69 11.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 91' ' ' ASN . 1.0 OUTLIER -67.89 -25.36 65.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.987 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.56 -6.92 51.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.376 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -79.88 -33.9 39.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.37 161.1 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.8 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.2 -38.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -52.4 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.7 -29.68 28.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.387 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -64.31 108.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -93.09 48.39 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.13 -168.71 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.84 139.77 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.573 ' HG3' ' HB2' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -96.83 22.06 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -90.17 -66.34 0.93 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.973 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -100.52 -31.7 11.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -42.45 92.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.573 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . . . -65.85 -73.1 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -86.15 87.57 1.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.423 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -99.9 -28.49 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 60.88 165.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -143.87 146.56 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 -99.69 93.76 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.8 mmm-85 60.82 178.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.16 143.33 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 117.2 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.7 t -158.28 37.19 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.87 -179.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 173.72 145.4 5.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.542 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.882 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.517 HD12 HD11 ' A' ' 53' ' ' LEU . 4.3 mm? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -134.01 57.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.517 HD11 HD12 ' A' ' 51' ' ' LEU . 2.6 mt -106.9 24.72 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.998 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.8 t -73.31 135.65 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -69.98 -33.61 72.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 85' ' ' VAL . 25.1 t -60.66 141.29 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.05 157.82 17.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 60.83 26.23 16.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.3 t -80.45 145.31 31.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.6 p -151.38 24.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.96 155.53 19.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -68.97 124.86 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -133.16 30.08 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -48.94 60.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -153.34 84.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.08 -79.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.85 154.76 20.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -27.23 17.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -79.93 -29.13 39.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -98.53 29.48 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -112.12 -70.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -52.65 -31.11 35.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -82.13 -26.26 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.995 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt 60.72 47.52 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 76' ' ' CYS . 10.7 p -133.23 153.78 38.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.41 ' N ' HG22 ' A' ' 75' ' ' VAL . 30.7 m -90.73 150.63 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.21 -33.21 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.633 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.584 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 14.4 t -76.25 -31.28 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.434 ' CG ' HG21 ' A' ' 56' ' ' VAL . 13.1 m170 -85.47 -28.0 25.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.14 -44.12 48.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -101.59 35.55 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.03 144.82 25.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -33.6 72.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.779 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.5 p -170.86 108.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 56' ' ' VAL . 6.3 t -100.05 157.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.029 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.41 ' N ' HG12 ' A' ' 85' ' ' VAL . 4.0 t80 -81.83 117.05 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 tp -144.43 118.46 9.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 t 58.68 26.3 14.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.409 ' HA2' ' CZ ' ' A' ' 86' ' ' PHE . . . 90.91 -45.83 2.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.777 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.95 164.55 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.973 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -86.72 129.88 34.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.761 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -131.47 155.78 46.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.973 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.38 158.6 32.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -74.77 133.93 41.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.7 t -114.39 103.88 11.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.79 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -67.05 -14.85 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.26 -39.56 71.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.746 0.307 . . . . 0.0 111.294 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.1 m -120.0 -3.43 10.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.446 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.57 1.31 2.52 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -96.4 -169.82 1.97 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.3 126.39 54.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -122.05 153.44 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.021 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -54.39 164.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.45 -11.01 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.353 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.22 19.79 4.83 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.702 0.287 . . . . 0.0 111.462 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.37 30.53 4.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -141.89 107.11 4.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.805 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.72 163.98 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.16 -70.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.49 74.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -81.75 166.27 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -149.39 43.38 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.8 m -152.54 179.94 8.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -173.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -139.53 15.48 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.284 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -90.11 -35.67 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 110.782 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 -33.72 6.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -47.96 67.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.02 101.6 11.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -77.05 134.69 15.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.563 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -103.66 35.9 2.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.812 0.339 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -100.97 144.61 29.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -85.01 161.91 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 121.25 25.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -74.29 -169.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -104.86 -71.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.66 -175.96 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.34 -66.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.1 t -109.88 -51.92 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.78 -111.7 3.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.427 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.861 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.743 0.306 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -67.48 98.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mt -136.41 22.3 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.9 t -83.18 132.65 35.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.783 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' OE1' ' CD1' ' A' ' 101' ' ' PHE . 1.8 pt20 -57.9 -29.43 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.541 HG21 ' CG ' ' A' ' 79' ' ' HIS . 8.7 t -74.98 142.34 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -88.54 159.11 18.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.0 25.22 15.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.295 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.1 t -86.31 127.68 34.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.769 0.319 . . . . 0.0 110.747 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.25 -26.8 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.22 120.26 7.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.231 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -78.27 144.88 35.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.6 mtp -102.05 32.3 3.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -77.18 -32.23 55.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -118.82 37.69 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.98 172.03 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -100.2 164.69 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.54 -26.97 68.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -79.96 -29.7 39.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -90.49 0.37 57.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.409 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.58 -63.23 1.28 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.914 0.388 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -54.93 -26.49 36.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.48 ' HB3' HG12 ' A' ' 75' ' ' VAL . 7.9 m-70 -82.8 -19.0 38.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 mttp 64.77 30.34 12.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.48 HG12 ' HB3' ' A' ' 73' ' ' HIS . 10.7 p -137.38 141.08 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.7 p -88.51 167.67 13.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -34.32 76.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.516 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.5 t -58.85 -39.13 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.353 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.541 ' CG ' HG21 ' A' ' 56' ' ' VAL . 21.2 m80 -95.22 -30.62 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.85 -30.04 70.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -98.97 -27.06 14.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -55.53 141.92 35.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.246 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -73.93 -59.53 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.3 p -115.63 157.33 24.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.431 HG11 HG11 ' A' ' 56' ' ' VAL . 6.4 t -148.78 157.52 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.429 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.4 OUTLIER -97.78 83.04 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.481 HD12 HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -93.3 112.63 24.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 p 58.35 34.38 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.429 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 72.24 27.68 69.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 tp -132.32 148.91 52.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -84.47 115.62 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -140.04 165.5 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.429 ' HD3' ' CE1' ' A' ' 107' ' ' PHE . 6.4 mtp-105 -134.03 136.14 43.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.46 111.57 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.01 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 46.2 t -96.52 100.66 12.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.779 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.82 -27.59 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.99 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -43.95 88.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.8 m -109.86 15.05 22.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.336 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.8 t 51.06 18.31 0.54 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -134.97 176.61 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 12.2 m-85 -91.02 160.13 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -141.95 140.5 32.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -57.58 162.78 2.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -27.1 62.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -4.09 43.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.508 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -79.97 -34.51 38.61 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.743 0.306 . . . . 0.0 110.793 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.429 ' CE1' ' HD3' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -146.86 159.62 43.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.71 37.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.34 -173.38 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.15 -28.82 28.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.212 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -65.07 155.23 35.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.756 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -149.73 33.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -154.27 49.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.66 176.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.59 -33.6 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -59.16 124.38 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 74.61 -61.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -47.83 -46.62 31.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.275 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.43 93.24 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -161.26 74.85 0.19 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -140.09 -47.71 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.945 0.402 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -131.28 136.39 48.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -130.89 163.11 28.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.55 -31.35 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 56.29 -176.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -159.84 89.38 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.78 139.76 43.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 m -111.9 40.28 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 m -65.93 161.14 21.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -155.11 111.92 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.901 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.748 HD12 HD11 ' A' ' 53' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.17 83.11 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.748 HD11 HD12 ' A' ' 51' ' ' LEU . 1.9 mt -134.14 20.13 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -78.6 122.14 25.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.972 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -60.05 -30.55 69.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG11 ' CG1' ' A' ' 85' ' ' VAL . 19.5 t -63.78 120.2 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.144 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.42 159.96 29.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 61.92 22.81 13.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.3 t -78.12 128.91 34.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.805 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.9 p -118.26 24.99 10.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.441 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.13 -165.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -139.39 155.88 47.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -152.64 31.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.68 -35.99 60.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -116.98 41.89 2.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.0 -173.53 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.49 179.03 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.88 -22.91 55.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -80.03 -35.87 36.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -80.56 -26.92 37.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.461 HH21 HD23 ' A' ' 51' ' ' LEU . 25.3 mtt180 -80.01 -33.25 39.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -68.31 -41.72 80.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -86.05 -15.9 39.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.313 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.52 53.86 3.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.005 0.431 . . . . 0.0 110.948 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.5 p -144.1 139.4 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.017 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.0 m -73.96 151.47 40.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.041 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.08 -39.7 95.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.466 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.8 t -67.91 -31.53 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.925 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -83.11 -27.71 29.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.21 -52.09 45.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -101.32 36.34 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -82.75 165.3 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -87.81 -35.92 17.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.9 p -171.29 104.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.512 ' CG1' HG11 ' A' ' 56' ' ' VAL . 6.1 t -87.27 157.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.429 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.5 OUTLIER -96.28 125.57 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.68 109.04 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 m 59.6 39.28 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.429 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.77 27.11 73.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.466 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tp -137.42 148.95 46.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.773 0.32 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -82.19 127.07 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.31 164.56 27.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.45 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 8.7 tpp85 -133.24 156.03 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -81.9 125.12 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.2 t -103.94 96.14 6.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.68 -26.93 64.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -42.31 89.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.7 m -113.11 16.96 19.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.426 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 t 49.35 20.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -135.68 178.25 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.78 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -94.79 160.27 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.158 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -143.69 178.75 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.954 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.86 141.61 49.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.802 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.15 -33.48 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -62.16 -24.23 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -79.97 -16.61 54.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.286 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 93' ' ' ARG . 5.4 m-85 -96.01 37.06 1.25 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.83 0.347 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -98.22 167.35 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 60.35 -176.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.73 -30.17 31.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.269 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -67.65 102.53 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 42.5 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.7 m -147.44 -79.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.4 t -165.95 172.81 11.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.947 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -121.43 21.97 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -68.29 0.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.985 0.421 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -107.07 -27.92 10.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -40.59 76.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.99 118.56 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 109.85 -47.16 1.07 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.402 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.0 -72.97 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.768 0.318 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 68.75 -70.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -70.56 121.32 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.72 -66.97 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -164.14 32.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 60.03 104.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -143.87 -52.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.8 t -86.96 135.83 33.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.6 m -107.18 -47.68 3.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 82.43 -68.92 3.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.963 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.77 0.319 . . . . 0.0 111.151 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -141.44 79.21 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.442 HD21 ' CD2' ' A' ' 51' ' ' LEU . 1.2 mt -117.09 24.03 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.8 t -88.4 124.23 33.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -65.58 -30.47 71.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.671 ' HA ' HD21 ' A' ' 87' ' ' LEU . 22.1 t -59.47 137.84 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.04 158.5 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.76 25.46 15.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.211 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.38 137.68 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.338 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.1 t -113.83 -22.73 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.01 131.22 50.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -84.56 138.17 32.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.817 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.1 mtp -103.07 41.83 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -72.78 -55.31 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -92.48 52.38 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.66 140.65 29.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 165.14 22.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mp -54.75 -24.84 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 80.2 t80 -79.88 -39.9 29.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.801 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -76.36 -25.33 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -45.52 18.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -60.13 -48.05 83.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.402 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 14.8 m-70 -77.85 -20.06 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 63.69 62.38 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.861 0.362 . . . . 0.0 110.667 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.54 HG13 ' HB2' ' A' ' 80' ' ' ALA . 10.9 p -155.49 136.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 33.2 m -67.69 159.89 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.68 -39.13 90.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.589 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.611 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.6 t -73.21 -30.32 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.928 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -85.1 -27.16 26.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.013 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.54 ' HB2' HG13 ' A' ' 75' ' ' VAL . . . -90.02 12.74 16.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.653 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.48 28.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.09 -170.64 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.74 -31.16 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.77 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.561 ' HB3' HD11 ' A' ' 104' ' ' LEU . 1.2 p -172.66 109.0 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.444 HG11 HG11 ' A' ' 56' ' ' VAL . 5.6 t -89.57 157.62 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.036 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.0 OUTLIER -97.23 92.08 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.671 HD21 ' HA ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -107.91 116.79 32.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t 59.92 35.88 21.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.8 35.63 89.95 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.56 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -170.49 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.829 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.509 ' HB3' HD12 ' A' ' 104' ' ' LEU . 61.5 m-20 -123.42 85.36 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -103.94 166.66 10.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.93 143.26 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -71.99 117.7 13.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.5 t -96.36 103.71 15.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -65.0 -25.89 68.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.002 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.66 -41.58 81.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.092 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.8 m -118.43 2.4 11.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.417 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t 63.54 5.77 2.28 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -100.86 -170.02 1.79 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -118.2 122.35 42.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.734 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 8.5 m-70 -119.52 143.01 47.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.998 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.11 164.0 1.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 84' ' ' SER . 13.4 mt -75.78 -18.98 59.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.227 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -90.11 17.79 6.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.381 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -109.07 -30.33 8.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 27.9 m-85 -82.13 135.38 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -101.67 152.35 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 60.57 -163.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.75 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -94.26 39.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.183 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -102.25 137.98 39.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.07 35.45 1.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.447 ' HB2' HD22 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -138.82 160.07 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.004 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.56 -177.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.11 13.66 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -35.07 15.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.773 0.321 . . . . 0.0 110.791 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.81 -33.15 6.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 113' ' ' SER . 9.6 tp -71.01 -52.32 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.82 98.0 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -118.66 138.51 13.74 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 37.7 m80 60.1 179.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -131.58 -177.95 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -77.82 119.22 21.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -158.22 163.93 37.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.65 34.54 2.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -163.23 131.04 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -140.43 -46.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 t -97.41 39.87 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -35.7 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.88 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -166.15 47.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.94 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.832 0.348 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.4 mmt-85 -78.26 98.9 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -128.47 -41.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 t -52.18 136.79 29.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -83.17 -28.41 29.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.693 HG11 HG11 ' A' ' 85' ' ' VAL . 9.5 t -57.96 143.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -86.92 160.5 18.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mtp-105 65.16 20.21 11.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.3 t -87.36 143.12 27.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.783 0.325 . . . . 0.0 110.805 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 p -140.82 26.61 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.219 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.11 126.39 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -69.86 115.34 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.5 mtp -98.45 33.89 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -82.92 -31.88 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -117.91 31.57 6.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.91 -178.92 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.57 170.01 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -9.45 58.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.369 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -79.92 -28.3 39.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -98.17 41.9 1.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -126.63 -56.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -58.54 -31.29 67.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.502 ' HB2' HG12 ' A' ' 75' ' ' VAL . 31.7 m-70 -86.52 -14.52 42.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? 63.0 33.06 15.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' A' ' 73' ' ' HIS . 9.7 p -138.97 145.42 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 p -94.94 176.43 6.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -68.66 -34.95 76.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.57 -29.46 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.241 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.456 ' CD2' HG11 ' A' ' 56' ' ' VAL . 27.9 m80 -106.49 -30.24 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.13 82.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -78.49 -30.85 47.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.58 168.89 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.06 -60.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.53 139.66 49.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.693 HG11 HG11 ' A' ' 56' ' ' VAL . 6.3 t -134.83 157.57 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.419 ' CZ ' ' HA2' ' A' ' 89' ' ' GLY . 1.1 t80 -84.41 98.17 9.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mp -115.45 116.56 28.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.61 34.37 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.419 ' HA2' ' CZ ' ' A' ' 86' ' ' PHE . . . 73.84 27.67 66.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.547 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.479 HD22 ' OD1' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -141.3 165.12 28.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.806 0.336 . . . . 0.0 110.851 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.07 103.51 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -118.26 146.91 43.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 18.9 mtm180 -110.93 132.95 53.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -63.53 120.34 11.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.7 t -103.75 107.29 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.62 -29.39 66.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -31.98 65.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 28.4 m -121.25 3.48 10.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.377 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.0 t 61.65 7.33 1.85 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.42 171.63 8.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.817 0.342 . . . . 0.0 110.74 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -86.07 152.74 22.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.025 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 7.0 m-70 -137.54 133.33 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.479 ' OD1' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -56.8 165.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 104' ' ' LEU . 7.5 mt -70.78 -29.99 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.24 15.34 10.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.329 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.7 -34.05 12.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 6.3 m-85 -83.04 160.77 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -68.86 -30.92 69.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -174.01 -77.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.46 29.35 5.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.157 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -64.97 112.53 3.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 28.05 3.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -164.42 29.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.281 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.5 -173.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -138.12 25.79 2.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.222 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.07 -36.58 14.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.5 -33.57 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 tp -64.99 -53.32 47.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.13 91.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.266 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 141.17 -178.22 20.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.523 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -114.05 -38.22 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.96 0.41 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 60.8 95.13 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -133.33 108.03 8.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.57 78.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 59.42 97.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.13 -46.2 9.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -41.36 94.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 80.0 p -102.08 152.84 20.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 41.7 m -158.66 98.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 92.31 139.75 9.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.931 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.7 HD12 ' HG ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.759 0.314 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.93 79.77 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.7 ' HG ' HD12 ' A' ' 51' ' ' LEU . 75.8 mt -107.77 -30.05 8.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.965 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 t -58.32 129.25 41.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -67.84 -30.31 69.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.62 HG11 ' CG1' ' A' ' 85' ' ' VAL . 8.7 t -64.94 145.35 14.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -90.03 163.33 14.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 61.62 20.59 11.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.428 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -78.27 119.73 22.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 110.753 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.5 p -101.47 -28.82 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.872 ' HB2' HG21 ' A' ' 78' ' ' VAL . . . -56.83 136.64 55.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.54 115.31 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.85 29.88 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HE2' HD23 ' A' ' 51' ' ' LEU . 32.8 tttm -90.11 -38.24 13.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -104.01 61.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.51 ' HB3' ' HG3' ' A' ' 71' ' ' ARG . . . -99.28 146.1 26.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.059 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.22 172.87 11.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.31 -28.79 68.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -79.94 -30.0 39.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -89.14 -28.12 20.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.51 ' HG3' ' HB3' ' A' ' 66' ' ' ALA . 24.3 mtt180 -80.02 -36.86 35.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -62.67 -49.75 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.499 ' HB2' HG12 ' A' ' 75' ' ' VAL . 42.0 m-70 -77.08 -8.82 58.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.68 31.41 9.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.838 0.352 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.499 HG12 ' HB2' ' A' ' 73' ' ' HIS . 11.0 p -131.87 142.97 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.0 p -90.57 172.58 8.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.16 -35.84 82.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.253 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.872 HG21 ' HB2' ' A' ' 61' ' ' ALA . 22.2 t -58.13 -34.76 50.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.362 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.611 ' CD2' HG13 ' A' ' 85' ' ' VAL . 26.0 m80 -100.26 -28.12 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.28 -30.47 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -92.7 -35.95 13.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.73 130.39 46.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.401 ' HA ' ' HG3' ' A' ' 93' ' ' ARG . 16.4 p -100.68 36.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.27 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.62 ' CG1' HG11 ' A' ' 56' ' ' VAL . 5.9 t -89.23 157.45 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.425 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 2.3 t80 -101.96 68.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.5 tp -91.97 123.11 35.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.9 m 60.37 32.61 20.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.425 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.35 35.33 90.08 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.445 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.486 HD22 ' OD1' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -145.19 154.16 42.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.814 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.515 ' CB ' HD22 ' A' ' 104' ' ' LEU . 12.6 m-80 -84.53 113.48 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -125.8 140.12 52.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.401 ' HG3' ' HA ' ' A' ' 83' ' ' SER . 7.3 ttm180 -110.89 125.17 53.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.71 93.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 39.5 t -76.97 101.82 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -66.09 -25.56 67.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -40.51 77.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 19.3 m -114.74 10.2 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.285 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.4 t 54.88 14.71 0.95 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -127.19 169.33 13.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.326 . . . . 0.0 110.776 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -86.58 146.9 26.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.043 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -132.17 150.64 52.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.773 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.486 ' OD1' HD22 ' A' ' 90' ' ' LEU . 7.3 t70 -59.51 152.32 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.515 HD22 ' CB ' ' A' ' 91' ' ' ASN . 15.8 tp -57.98 -22.53 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.15 41.26 1.04 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -139.74 25.9 2.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.041 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -150.41 95.35 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.78 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.97 172.32 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.43 -177.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.21 62.69 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.049 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.818 ' HD2' HD23 ' A' ' 118' ' ' LEU . 10.7 mmtm -132.18 148.58 52.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -121.12 37.91 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.407 ' HB2' HD22 ' A' ' 118' ' ' LEU . 4.3 m -164.03 177.65 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.36 155.88 11.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.912 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.55 29.13 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -90.14 -43.35 10.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.72 -36.28 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.818 HD23 ' HD2' ' A' ' 111' ' ' LYS . 3.4 tp -59.36 -39.74 84.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.75 104.91 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -107.66 -161.75 21.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -111.69 90.52 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -134.07 80.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -157.17 135.86 11.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -176.3 -54.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.3 123.2 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -87.49 164.66 16.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.5 -46.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.0 p -69.72 176.8 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.54 -66.93 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 159.82 43.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.428 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.933 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -76.88 81.12 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 mt -111.58 -30.39 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.29 131.79 51.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -68.36 -30.62 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.416 HG11 HG11 ' A' ' 85' ' ' VAL . 8.0 t -61.05 142.77 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -87.67 160.11 18.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 64.2 17.44 10.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.8 t -90.11 105.15 17.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.852 0.358 . . . . 0.0 110.673 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.3 p -98.63 30.03 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.289 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.98 158.27 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -100.26 146.34 27.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 46.0 mtp -135.02 35.22 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -59.83 -40.03 87.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.72 72.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.63 151.04 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 175.63 9.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 mp -72.15 -13.1 61.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.271 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -79.81 -28.55 40.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.743 0.306 . . . . 0.0 111.044 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -98.03 -29.78 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.7 mtp85 -80.06 -33.63 38.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -74.8 -34.59 62.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -92.36 -12.9 31.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.311 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 32.16 12.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.808 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.8 p -134.22 119.02 29.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.8 p -71.91 173.78 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.41 -34.76 76.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.523 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 22.5 t -59.03 -30.07 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -105.29 -27.95 11.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.07 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.78 -32.53 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -96.42 -25.58 15.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -56.17 -22.43 28.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.411 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 70.14 -66.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 p -101.79 128.51 48.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG11 HG11 ' A' ' 56' ' ' VAL . 6.1 t -126.77 157.6 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.411 ' CZ ' ' O ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -95.98 82.09 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 tp -98.96 123.35 43.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.013 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m 57.52 24.8 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.411 ' O ' ' CZ ' ' A' ' 86' ' ' PHE . . . 94.36 -36.13 3.9 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.648 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.62 172.09 13.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -107.12 119.75 40.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.714 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.83 138.73 50.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 15.9 mmm-85 -97.28 153.14 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -76.9 110.46 11.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.3 t -91.37 98.9 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -27.22 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -40.78 83.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 25.9 m -113.81 15.98 18.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.288 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t 49.58 19.95 0.44 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -135.25 -178.72 5.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.877 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -95.51 161.17 14.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 8.4 m-70 -145.12 149.03 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -57.34 153.8 11.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.975 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tp -65.97 -26.69 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.009 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -84.36 4.07 32.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.78 -36.67 17.16 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.872 0.368 . . . . 0.0 110.987 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 12.9 m-85 -82.21 149.77 27.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.66 126.06 34.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 64.2 -79.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -167.62 34.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -58.81 163.78 3.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.59 25.99 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.8 168.06 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.0 178.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -132.53 29.68 4.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.16 -66.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -106.78 -29.97 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -40.61 84.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.91 82.78 3.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -102.59 128.02 9.4 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.27 109.12 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -153.45 115.4 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.09 31.16 4.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -141.97 119.61 11.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -86.57 162.17 18.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.97 34.28 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.53 30.44 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.84 160.89 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.3 m -129.2 99.48 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 94.37 -42.99 2.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.542 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.944 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.852 0.358 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.428 ' O ' HD23 ' A' ' 53' ' ' LEU . 17.3 mmm180 -115.3 101.23 8.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 52' ' ' ARG . 2.7 mt -142.26 22.79 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.93 144.09 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -89.63 -29.82 18.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.982 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.437 HG11 HG11 ' A' ' 85' ' ' VAL . 15.3 t -57.97 143.65 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.218 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -89.99 157.31 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? 61.2 27.33 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.6 t -78.76 129.51 34.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.1 t -113.48 -22.25 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.444 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.63 144.06 56.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -90.69 138.61 31.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.0 mtp -106.42 31.38 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -31.71 50.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -131.17 77.92 1.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.1 155.74 27.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 159.21 18.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -25.86 63.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -79.9 -28.7 39.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -97.65 36.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -120.34 -69.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -57.63 -31.61 66.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -72.76 -20.77 61.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mttt 61.57 46.6 7.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.805 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 p -146.92 144.28 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 29.4 m -80.67 156.3 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -61.72 -40.91 96.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.63 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.75 -30.8 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -83.42 -29.69 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.98 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.99 10.5 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.66 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -150.24 28.8 0.73 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.763 0.316 . . . . 0.0 110.993 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.99 178.08 6.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 -31.18 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 98.4 p -166.61 93.6 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.437 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -79.91 157.61 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.417 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.9 OUTLIER -93.96 127.35 39.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.26 111.82 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.736 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.15 23.56 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.417 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 94.36 -35.02 4.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.693 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tp -79.99 156.38 27.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -79.88 133.65 36.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.18 176.07 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.434 ' HB3' ' CD2' ' A' ' 107' ' ' PHE . 1.3 mmm180 -159.84 161.96 34.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -90.09 141.06 29.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.3 t -116.02 100.79 8.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -26.23 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.799 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -47.88 80.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.9 m -116.51 14.72 15.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.177 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t 46.66 23.3 0.23 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.417 ' HB2' ' CE1' ' A' ' 102' ' ' HIS . 2.5 mtm-85 -110.56 -174.18 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -116.72 105.75 12.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.666 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 100' ' ' ARG . 8.1 m-70 -105.01 159.01 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.039 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -55.85 161.88 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.218 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.88 -25.65 63.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.037 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -26.26 12.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.082 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -79.86 -30.66 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.827 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' A' ' 93' ' ' ARG . 91.3 m-85 -103.0 29.64 5.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.95 160.41 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 62.55 -80.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.1 -179.22 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm 60.92 113.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.16 35.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.7 -174.38 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.7 175.68 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.808 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -127.46 19.35 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.271 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -67.64 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.943 0.402 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -98.5 -31.44 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -39.42 81.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.46 89.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 179.15 140.01 3.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.414 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.87 160.99 31.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -125.34 86.56 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -140.14 94.66 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -90.45 -39.54 12.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.88 175.66 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -143.37 56.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.3 mptt 60.38 97.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.787 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.01 -73.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.8 m 60.47 86.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -134.68 117.06 1.7 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.458 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.919 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.745 0.307 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.45 81.77 8.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mt -105.3 -21.71 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -53.25 141.14 24.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -76.64 -32.96 58.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.659 HG11 HG11 ' A' ' 85' ' ' VAL . 8.2 t -65.64 142.43 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.24 161.43 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.21 23.2 13.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.9 t -73.39 116.94 14.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.759 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.2 p -88.32 -30.97 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.585 ' HB2' HG21 ' A' ' 78' ' ' VAL . . . -59.88 136.4 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.13 161.25 18.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.26 32.71 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -60.41 -30.86 69.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -130.72 77.77 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.61 154.84 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -101.39 175.04 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.23 -28.18 66.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -79.93 -23.24 41.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -109.57 46.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.915 0.388 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -124.88 -78.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -26.37 61.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -79.0 -27.27 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt 62.21 46.58 6.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.4 p -145.37 151.62 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.3 p -100.53 170.76 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.44 -35.78 81.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.678 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 23.6 t -58.1 -33.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.256 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -102.23 -28.8 12.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.976 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.2 -30.72 66.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -123.69 39.1 4.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.91 -175.44 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 p -105.72 -32.84 8.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.6 p -169.87 123.49 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.659 HG11 HG11 ' A' ' 56' ' ' VAL . 5.7 t -114.66 157.52 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.05 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.439 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.4 OUTLIER -102.75 83.27 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 tp -93.34 117.62 30.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.2 t 59.77 33.32 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 68.59 28.1 73.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.547 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.46 165.52 24.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -91.87 115.96 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -137.79 156.26 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.412 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 0.7 OUTLIER -133.57 142.62 48.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.82 99.38 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.59 99.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -25.5 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -50.32 74.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 4.0 m -109.8 7.66 24.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.264 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.14 13.74 1.29 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.573 0.225 . . . . 0.0 111.575 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 98' ' ' CYS . 1.0 OUTLIER -101.08 -175.79 2.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.741 0.305 . . . . 0.0 110.945 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -111.72 102.37 10.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -103.45 151.29 22.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -63.2 159.71 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.15 -32.06 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -61.32 -24.35 66.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -80.04 -30.77 39.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 93' ' ' ARG . 2.6 m-85 -64.99 -38.77 92.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t70 59.93 163.96 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -73.4 -36.07 65.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.94 -48.78 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -86.61 169.03 13.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.3 40.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.69 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.39 -173.06 3.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -96.16 -45.87 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -58.22 124.45 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 75.05 -61.75 0.47 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -43.25 19.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.67 116.34 11.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.75 65.45 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -114.08 101.4 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.712 0.292 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -154.85 32.09 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -100.85 158.39 16.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -150.4 127.14 10.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.81 153.43 22.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.795 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -119.26 144.74 46.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.22 -178.39 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.5 p -143.11 -49.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.3 p -78.81 136.49 37.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -108.1 -55.18 0.6 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.921 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.848 0.356 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 91.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 63' ' ' MET . 62.6 mt -114.07 -33.5 5.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.29 141.4 46.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -83.39 -30.91 27.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 85' ' ' VAL . 6.8 t -61.22 145.8 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.069 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.06 161.68 16.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.36 17.8 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.3 t -81.99 132.72 35.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 t -127.37 24.24 6.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.05 165.26 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -95.82 143.14 27.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.462 ' HB3' HD12 ' A' ' 53' ' ' LEU . 1.8 mtp -139.77 34.49 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -66.68 -36.51 82.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -140.93 76.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.1 -174.04 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.29 161.34 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.37 -23.95 62.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -79.89 -35.51 37.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -85.49 -28.49 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -31.48 39.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -74.59 -37.84 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -86.41 -12.16 49.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.338 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 mttt 63.99 35.29 10.77 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.54 143.76 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.8 p -94.92 173.45 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.88 -36.06 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.7 t -56.69 -30.25 31.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.411 ' CD2' HG11 ' A' ' 56' ' ' VAL . 23.1 m80 -103.51 -27.82 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.72 -30.54 70.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.003 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -112.05 30.6 6.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.99 130.95 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 m -71.28 -31.48 67.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.7 p -158.59 100.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -83.57 157.68 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.6 OUTLIER -106.45 85.87 2.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.17 116.77 32.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 59.54 32.06 21.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 69.99 27.26 73.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tp -130.96 149.91 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -79.87 116.14 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -134.06 160.7 36.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.29 153.14 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -81.14 115.11 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 99' ' ' SER . 50.3 t -89.68 96.88 10.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -59.18 -25.11 63.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -49.4 77.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.176 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.0 m -108.81 -3.68 17.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.447 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 95' ' ' CYS . 3.1 t 71.17 -2.9 2.21 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -93.77 -174.03 3.33 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.951 0.405 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -113.98 123.19 49.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.728 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -119.1 163.11 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.61 162.8 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 tp -75.65 -28.57 58.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -21.36 47.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -79.84 -27.81 40.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -103.11 43.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -129.45 36.21 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.95 -157.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.542 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -91.07 38.34 0.96 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.833 0.349 . . . . 0.0 111.223 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -151.1 87.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.24 54.64 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.971 0.415 . . . . 0.0 110.987 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m 179.66 54.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.98 -174.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.974 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.23 -34.14 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 20.7 ttm180 -59.76 130.38 46.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 116' ' ' ARG . 1.1 mmm180 68.34 -63.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.29 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -43.7 17.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.94 115.4 11.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.69 142.46 0.63 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -74.22 176.72 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -68.49 -41.84 79.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -78.73 153.85 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.17 165.27 19.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.52 148.27 12.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.981 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -123.56 175.77 6.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 176.46 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.2 m 60.59 -178.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.794 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.58 162.05 21.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 169.04 -41.79 0.22 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.922 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.913 HD12 HD11 ' A' ' 53' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -94.24 88.98 5.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.913 HD11 HD12 ' A' ' 51' ' ' LEU . 1.8 mt -133.02 21.57 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.069 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -85.16 128.49 34.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -60.28 -35.89 76.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.738 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.565 HG11 HG11 ' A' ' 85' ' ' VAL . 13.7 t -62.7 124.41 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.059 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -78.98 159.64 27.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? 63.22 22.55 13.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.33 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.6 t -85.24 132.95 34.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.695 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -120.28 28.6 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.516 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.12 137.25 32.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.49 120.33 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.2 mtp -106.63 38.12 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -59.49 -34.38 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -133.83 79.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.77 169.17 9.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.57 166.4 17.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.74 -17.98 64.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.256 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -79.9 -28.86 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -97.59 -28.87 13.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -80.11 -31.2 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -75.25 -51.28 13.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.036 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -73.21 -8.68 56.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.415 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mttm 63.27 46.49 4.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.907 0.384 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 76' ' ' CYS . 11.2 p -135.72 158.77 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.487 ' N ' HG22 ' A' ' 75' ' ' VAL . 27.7 m -96.0 148.94 22.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.033 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.74 -32.66 71.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.469 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.793 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 22.9 t -75.46 -32.5 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.765 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -81.54 -28.51 33.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.78 96.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.208 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.25 45.98 2.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.793 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.96 175.9 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.85 73.41 2.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 p 62.98 109.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.565 HG11 HG11 ' A' ' 56' ' ' VAL . 5.6 t -90.8 157.62 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.427 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 5.3 t80 -90.77 89.33 7.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 tp -112.03 124.72 53.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.64 20.34 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.261 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.427 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 93.41 -38.31 3.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.725 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.05 167.76 18.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.994 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -87.95 113.21 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -123.33 123.8 41.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -105.1 171.6 7.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -88.66 158.03 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.4 t -131.64 94.47 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.648 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -23.44 27.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.26 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -54.13 49.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.171 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.8 m -105.46 -4.68 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.452 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t 69.61 -1.0 2.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.36 -171.23 2.59 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -110.04 128.96 55.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -127.29 147.56 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.019 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -64.68 166.58 8.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.068 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.69 -31.93 63.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -25.59 65.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.8 -30.85 40.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -82.11 149.56 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -162.88 175.01 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 60.52 176.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.65 -31.14 69.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -78.44 123.99 27.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 52.98 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.51 175.58 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 161.19 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.067 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -29.9 24.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 132.34 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 77.18 -59.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.978 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.34 -58.47 6.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.081 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.789 0.328 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -99.83 82.68 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 mt -109.73 -22.44 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.2 t -53.67 126.89 23.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.893 0.377 . . . . 0.0 111.119 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -66.7 -31.23 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 85' ' ' VAL . 24.1 t -60.49 115.95 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.08 154.46 41.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 60.76 29.55 19.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.97 148.65 44.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.1 p -110.16 -32.86 6.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.2 137.93 58.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -92.21 135.25 34.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mtp -106.54 36.23 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -65.47 -34.92 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -142.22 83.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.15 176.98 6.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.19 172.86 8.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -31.21 69.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -80.82 -29.69 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -98.16 32.5 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -125.99 -51.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -66.07 -33.3 75.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -89.31 -25.43 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt 65.45 55.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.806 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 p -143.52 141.54 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.0 m -73.11 152.69 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.92 -33.87 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.608 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 30.7 t -78.81 -30.87 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -83.02 -28.99 29.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.68 -56.38 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -100.51 41.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -81.53 177.06 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.37 -29.89 9.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -172.23 102.8 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -96.75 157.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.411 ' N ' HG12 ' A' ' 85' ' ' VAL . 5.1 t80 -96.04 105.98 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.3 122.01 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 59.02 25.6 14.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 86' ' ' PHE . . . 90.44 -46.48 3.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.664 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.89 164.56 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.387 . . . . 0.0 110.951 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -80.03 145.24 32.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -150.67 161.45 42.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.448 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 3.3 mmm180 -139.33 147.06 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.02 128.54 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.006 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.8 t -110.3 97.21 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -28.73 67.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -48.1 77.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 6.8 m -111.18 20.55 17.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.246 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 t 44.27 25.12 0.1 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -135.83 -173.59 3.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -106.79 156.11 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 19.2 m-70 -140.46 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -68.1 148.57 50.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.9 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -22.05 64.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.127 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.86 -41.26 26.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.448 ' CE2' ' HB2' ' A' ' 93' ' ' ARG . 75.3 m-85 -76.58 159.5 30.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -172.93 -178.47 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -60.34 -178.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.32 -78.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -107.12 146.31 31.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.54 44.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -146.23 56.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.43 164.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.572 ' HG2' ' HB2' ' A' ' 119' ' ' ALA . 1.2 ttp180 -126.31 23.88 6.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -90.14 -70.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.24 -30.87 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -43.99 92.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.572 ' HB2' ' HG2' ' A' ' 115' ' ' ARG . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 51' ' ' LEU . 3.5 mm? . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.812 0.339 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -100.34 82.2 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -110.79 -25.89 9.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -54.71 123.18 12.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.864 0.364 . . . . 0.0 110.998 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -60.28 -30.99 69.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.697 ' HA ' HD21 ' A' ' 87' ' ' LEU . 7.5 t -62.56 143.42 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.02 160.94 16.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 62.08 23.09 13.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.363 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.2 t -84.94 108.48 17.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.7 p -104.41 31.0 4.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.34 -171.91 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -121.3 109.09 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.3 mtp -98.94 30.96 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -75.65 -54.26 7.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.753 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -101.84 46.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.1 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -85.46 164.95 17.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -21.5 64.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 85.3 t80 -79.94 -53.43 6.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.352 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -62.35 -29.45 70.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.06 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -79.95 -30.99 39.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -48.74 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.409 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 45.0 m-70 -79.47 -3.06 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.493 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mttt 61.49 43.38 10.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.003 0.43 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.9 p -147.4 147.71 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.9 p -97.23 171.57 8.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -68.82 -33.39 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.606 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 29.6 t -59.9 -29.71 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.436 ' CD2' HG11 ' A' ' 56' ' ' VAL . 18.5 m80 -105.52 -30.72 9.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.79 -31.65 68.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -115.02 29.56 7.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.12 178.13 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -104.36 -32.62 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.7 p -162.75 141.0 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.546 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -133.31 157.44 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.051 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.413 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.9 OUTLIER -104.67 84.69 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' A' ' 56' ' ' VAL . 1.3 mt -98.62 121.64 40.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m 59.76 42.42 16.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.413 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 60.76 26.71 65.43 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.496 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 tp -139.9 148.08 41.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -80.37 123.74 28.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -142.27 148.06 37.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -113.31 160.64 18.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -82.15 112.98 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.015 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.4 t -87.71 105.98 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.665 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -23.0 66.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -39.63 90.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.6 m -117.45 17.74 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.393 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t 45.69 23.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -135.09 173.21 11.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.805 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -85.49 154.97 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.08 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -142.42 168.9 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.4 148.37 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.6 tp -69.14 -13.67 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.362 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -90.12 17.92 6.46 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.486 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -107.16 -30.8 8.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -102.6 152.82 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.53 162.83 38.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.009 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.16 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.983 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.56 41.19 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.4 97.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.07 27.39 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 m 60.74 175.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.41 178.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.38 23.35 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -90.0 -66.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -91.37 -30.44 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -50.77 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' O ' HD23 ' A' ' 53' ' ' LEU . 5.1 mpt_? -82.31 102.37 11.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 52' ' ' ARG . 2.3 mt -142.18 23.6 2.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.79 131.86 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -67.67 -29.62 68.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.789 HG11 ' CD2' ' A' ' 79' ' ' HIS . 10.8 t -65.32 144.94 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -90.07 161.24 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.033 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 12.4 mtm105 61.85 22.62 13.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.5 t -86.21 127.89 34.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.8 p -140.44 29.43 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.93 160.09 16.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.86 115.47 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.84 32.01 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.45 -47.39 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.16 56.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.99 156.17 27.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -175.05 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.11 -26.47 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -79.96 -29.54 39.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -98.63 33.67 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.59 -78.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -58.16 -26.57 62.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -77.22 -22.12 52.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.2 mttm 62.33 44.9 7.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 p -146.41 140.99 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -91.1 173.74 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.63 -29.39 67.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.179 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.51 -29.67 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.278 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.789 ' CD2' HG11 ' A' ' 56' ' ' VAL . 16.4 m80 -104.57 -30.26 10.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.981 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.64 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.18 33.45 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.42 147.14 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -51.34 24.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.0 p -159.26 113.67 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -98.02 157.12 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -97.04 96.33 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 87' ' ' LEU . 8.5 tp -114.89 128.48 56.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t 61.09 32.52 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.18 29.88 73.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.16 158.5 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.819 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -80.1 125.03 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -140.43 119.43 12.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.45 ' CG ' ' CE2' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -89.84 160.0 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -79.03 113.46 17.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.6 t -84.25 106.18 15.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.664 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.0 -15.2 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.299 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.92 -36.94 67.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.667 0.27 . . . . 0.0 111.301 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.0 m -122.18 -0.74 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.519 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.76 3.27 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -96.33 -170.18 2.05 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -115.69 119.89 37.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -118.35 158.08 25.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.42 161.19 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.025 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.39 -28.59 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.16 16.4 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.445 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -109.78 31.08 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.936 0.398 . . . . 0.0 110.949 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.45 ' CE2' ' CG ' ' A' ' 93' ' ' ARG . 97.6 m-85 -140.69 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.52 153.74 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -34.58 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.25 -45.8 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -95.81 128.47 42.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -98.35 33.86 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -131.44 168.76 17.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.22 176.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.965 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.43 ' HG3' ' HB2' ' A' ' 119' ' ' ALA . 6.6 ttt-85 -130.28 17.0 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.38 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -90.12 -36.02 15.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.69 -31.86 7.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -43.81 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.43 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.74 0.305 . . . . 0.0 111.276 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -111.19 82.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.617 HD12 ' CB ' ' A' ' 63' ' ' MET . 5.2 mt -94.8 -28.36 15.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.174 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.6 t -57.55 139.34 53.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -76.94 -31.49 56.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.6 HG11 HG11 ' A' ' 85' ' ' VAL . 8.5 t -60.77 145.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -90.01 160.3 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.02 20.32 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.316 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.7 t -90.1 124.28 34.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.81 0.338 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -111.78 29.63 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.98 152.5 21.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.071 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.42 130.07 46.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.617 ' CB ' HD12 ' A' ' 53' ' ' LEU . 43.3 mtp -125.79 37.62 4.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -59.93 -42.71 94.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -136.96 74.24 1.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.7 -175.83 3.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -79.51 164.2 24.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.41 -18.06 63.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.204 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.433 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 86.5 t80 -79.97 -38.77 31.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.777 0.322 . . . . 0.0 110.956 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -77.96 -28.87 49.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.066 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -80.0 -31.17 39.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 -76.12 -31.36 58.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.433 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 21.6 m-70 -94.81 -9.42 34.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.405 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 mttp 61.59 42.56 10.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.9 p -145.07 143.93 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.0 p -92.57 169.0 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.34 -34.58 78.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.1 t -58.99 -38.14 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.357 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -96.77 -30.26 13.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.39 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.73 31.45 6.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.94 174.36 7.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.5 t -102.82 -30.75 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.8 p -165.49 118.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.6 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -104.95 157.57 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.411 ' N ' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -101.59 85.98 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.804 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.478 HD12 HG13 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -98.22 117.85 33.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.5 m 58.73 23.42 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.401 ' O ' ' CE1' ' A' ' 86' ' ' PHE . . . 95.21 -28.6 11.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.592 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.04 149.52 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.435 ' HB2' HD22 ' A' ' 104' ' ' LEU . 13.1 m-20 -80.26 117.08 20.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -120.36 147.46 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 2.1 tpp180 -114.62 144.87 42.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.785 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -70.16 108.84 4.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 48.7 t -92.34 101.05 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -65.03 -26.31 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -41.69 80.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.994 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.1 m -113.96 13.57 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.306 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t 52.11 17.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -131.26 176.64 8.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.76 0.314 . . . . 0.0 110.911 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -92.87 155.34 17.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.145 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 9.2 m-70 -141.37 166.27 25.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.765 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.48 150.15 47.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.731 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' ' 91' ' ' ASN . 2.8 tp -58.53 -30.64 67.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -65.38 -17.01 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -96.72 34.06 1.74 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 93' ' ' ARG . 84.2 m-85 -148.59 119.3 7.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.12 165.93 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -63.94 -33.65 76.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.92 -46.7 5.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 137.41 49.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 40.68 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.708 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.477 ' HB2' ' HG ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -141.1 -166.45 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.91 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -169.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.698 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.17 -28.9 9.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.952 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.98 127.58 33.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.62 -60.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.25 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.477 ' HG ' ' HB2' ' A' ' 113' ' ' SER . 0.1 OUTLIER -46.7 -49.01 20.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.259 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 111.03 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.488 HD12 ' CG ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.803 0.335 . . . . 0.0 111.182 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 90.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.488 ' CG ' HD12 ' A' ' 51' ' ' LEU . 81.4 mt -112.08 -28.02 8.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 t -56.07 129.52 40.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.01 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.34 -26.07 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.642 HG11 HG11 ' A' ' 85' ' ' VAL . 10.0 t -57.53 143.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.178 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -86.78 160.68 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 21.64 12.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.304 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.2 t -89.43 142.55 27.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.878 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.4 p -142.15 25.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.08 122.7 33.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -63.55 112.33 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.0 mtp -98.15 35.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -70.99 -31.33 67.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -110.31 41.56 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.93 178.61 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.63 -179.32 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.007 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.68 -22.68 67.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -79.87 -29.15 39.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.02 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -97.95 -29.13 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -79.98 -47.18 15.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -59.55 -41.93 91.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -82.99 -11.76 57.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.272 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.3 mttp 61.13 42.03 12.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.919 0.39 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -146.21 144.49 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 p -95.81 176.28 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.58 -31.27 69.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.126 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.3 t -61.92 -28.44 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.362 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.51 ' CD2' HG11 ' A' ' 56' ' ' VAL . 34.7 m80 -110.19 -29.9 7.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -33.89 72.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -86.12 -40.12 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.38 70.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.52 -67.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.8 p -77.27 106.09 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.642 HG11 HG11 ' A' ' 56' ' ' VAL . 7.1 t -121.85 157.52 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.412 ' N ' HG12 ' A' ' 85' ' ' VAL . 1.7 t80 -88.78 90.62 8.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -116.53 133.88 55.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.795 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.4 m 60.34 39.6 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.81 27.98 65.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.453 HD22 ' OD1' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -151.46 166.68 30.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' A' ' 104' ' ' LEU . 18.6 m120 -86.82 115.72 24.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -121.79 162.99 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -126.28 155.52 41.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.787 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -75.14 124.71 27.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 50.9 t -106.03 99.75 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.814 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -26.13 67.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -44.35 94.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.019 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.0 m -111.52 15.47 21.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.474 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 t 50.67 18.63 0.5 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -132.84 -178.59 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.779 0.323 . . . . 0.0 110.758 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -95.8 159.39 15.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.168 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 9.2 m-70 -144.34 160.36 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.453 ' OD1' HD22 ' A' ' 90' ' ' LEU . 18.1 t0 -63.27 158.76 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.431 HD12 ' HB2' ' A' ' 91' ' ' ASN . 5.8 mt -70.66 -15.78 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.274 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.18 18.81 5.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.379 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -111.42 -33.99 6.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.763 0.316 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 21.7 m-85 -89.85 160.57 16.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.93 165.23 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.03 -31.32 69.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.2 -54.21 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -71.26 134.6 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.801 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -117.36 42.65 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.16 -167.06 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.99 157.67 20.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 21.4 mtm105 -81.72 -27.96 33.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.72 135.32 49.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.742 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 71.6 -63.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.89 -61.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 115' ' ' ARG . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.846 0.355 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.36 74.57 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.64 -29.32 7.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.26 122.88 12.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -60.01 -28.76 67.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.553 ' CG1' HG11 ' A' ' 85' ' ' VAL . 4.1 t -64.19 145.78 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.12 160.24 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.89 19.48 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.288 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.9 t -90.06 138.29 31.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.1 t -137.17 35.78 2.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.206 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.08 148.95 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -89.98 119.53 30.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.3 mtp -108.07 32.51 4.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -75.12 -34.25 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -124.38 55.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.51 174.47 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -84.88 167.91 15.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -20.48 64.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -79.82 -43.39 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -74.13 -25.26 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -79.93 -44.5 20.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 ttm-85 -59.07 -50.32 74.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -73.48 -12.1 60.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.335 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp 61.7 53.48 3.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 p -154.39 148.11 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.5 p -93.71 158.57 15.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.85 -32.84 72.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.275 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.614 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.6 t -56.12 -42.77 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.45 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.454 ' CD2' HG11 ' A' ' 56' ' ' VAL . 17.8 m80 -90.2 -29.4 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.979 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.55 -29.21 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.66 40.22 3.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.72 -30.22 18.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m 69.59 10.23 7.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.476 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 p -179.64 113.56 0.05 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.685 0.279 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.553 HG11 ' CG1' ' A' ' 56' ' ' VAL . 3.9 t -131.22 156.7 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.201 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.412 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.3 t80 -99.64 92.36 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tp -107.06 111.25 23.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.47 35.68 24.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.412 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 73.05 26.79 69.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.73 149.27 43.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.606 ' CB ' HD12 ' A' ' 104' ' ' LEU . 5.1 m120 -79.95 122.71 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -132.84 161.79 33.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.441 ' HB2' ' CE1' ' A' ' 107' ' ' PHE . 37.6 mtp180 -130.7 151.69 50.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.795 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -76.14 109.0 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 46.7 t -92.58 101.18 13.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -63.79 -26.97 68.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' OE1' HD22 ' A' ' 118' ' ' LEU . 5.7 mt-30 -59.09 -41.79 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.066 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.9 m -113.61 16.51 18.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.405 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t 49.26 20.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -134.73 -177.41 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.698 0.285 . . . . 0.0 110.778 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -99.47 159.98 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.191 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -143.34 178.91 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.16 150.34 45.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.606 HD12 ' CB ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -59.05 -21.29 58.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.3 50.36 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.975 0.417 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -155.4 26.55 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 93' ' ' ARG . 25.9 m-85 -155.08 64.08 0.64 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.702 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -178.2 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.069 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.46 -33.28 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.51 -56.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.743 ' HG2' HD23 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -92.13 146.07 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -107.04 35.05 3.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 m -152.88 -59.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . 0.401 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 0.5 OUTLIER -175.11 179.36 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.818 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.552 ' HG2' ' HB2' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -130.62 26.65 5.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -54.32 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.5 ttm105 -111.88 -33.86 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.743 HD23 ' HG2' ' A' ' 111' ' ' LYS . 5.3 tp -58.66 -38.61 78.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.552 ' HB2' ' HG2' ' A' ' 115' ' ' ARG . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.784 0.326 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -144.67 77.06 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 mt -108.74 -28.14 9.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.1 t -56.86 132.33 52.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.085 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -81.64 -25.83 35.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.56 HG11 HG11 ' A' ' 85' ' ' VAL . 21.8 t -56.88 123.88 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.201 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.74 157.21 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.95 25.99 15.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.7 t -74.44 133.64 42.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.829 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 p -132.04 28.51 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.263 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.93 179.76 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.011 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -108.0 121.94 45.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.3 mtt -120.29 31.09 6.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -65.09 -43.02 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -136.33 80.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.19 161.68 17.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -79.25 175.91 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -25.28 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.441 ' CZ ' ' NE2' ' A' ' 73' ' ' HIS . 73.9 t80 -79.89 -52.82 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -64.46 -18.47 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.91 -32.56 40.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -46.11 60.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.441 ' NE2' ' CZ ' ' A' ' 69' ' ' TYR . 77.9 m-70 -80.0 -25.58 40.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.62 53.97 1.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.957 0.408 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 ' HB2' ' A' ' 80' ' ' ALA . 9.8 p -150.94 138.6 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.5 m -72.35 160.58 32.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -62.23 -32.02 72.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.835 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 5.2 t -76.53 -30.8 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.506 ' HB3' HG21 ' A' ' 56' ' ' VAL . 31.4 m170 -89.86 -22.96 21.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.434 ' HB2' HG13 ' A' ' 75' ' ' VAL . . . -85.16 -44.06 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.244 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.05 26.43 4.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.835 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.08 155.63 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 p -85.53 -31.51 22.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.71 106.22 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.56 HG11 HG11 ' A' ' 56' ' ' VAL . 6.1 t -96.65 157.59 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.015 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.43 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 2.1 t80 -90.05 79.18 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.0 122.7 41.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.14 32.78 21.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.98 27.4 73.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.623 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.43 -173.85 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -114.09 110.87 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -138.14 145.66 41.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 107' ' ' PHE . 12.3 ttm-85 -111.94 136.03 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.2 112.09 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.61 98.17 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.43 -26.68 68.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.71 72.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.027 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.6 m -119.34 12.99 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.343 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 t 54.35 15.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -129.91 178.62 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.83 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -95.88 156.7 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -141.67 154.05 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.1 154.3 27.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.83 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.21 -27.58 64.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -73.45 -8.29 55.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -96.32 29.8 2.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 35.9 m-85 -145.0 68.07 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -58.87 142.64 50.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.026 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 58.57 -177.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.43 65.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.044 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -125.78 124.78 41.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.3 mtt85 -97.1 40.49 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.96 171.37 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.16 -172.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.517 ' HG3' ' HB2' ' A' ' 119' ' ' ALA . 30.6 ttt-85 -138.14 27.84 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.232 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -90.05 -66.34 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.048 0.452 . . . . 0.0 110.894 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -103.55 -29.5 11.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -58.18 -39.83 79.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.517 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.211 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.45 88.07 7.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.77 HD11 HD22 ' A' ' 51' ' ' LEU . 2.1 mt -138.0 22.92 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.27 134.3 33.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -65.58 -30.47 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 85' ' ' VAL . 5.6 t -69.45 144.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.93 159.85 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.001 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 61.51 25.12 15.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.331 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.0 t -81.6 101.55 10.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.346 . . . . 0.0 110.751 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 p -98.45 27.24 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.07 159.7 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -99.13 118.52 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.33 31.05 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -31.4 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -121.99 68.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.79 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.72 -175.84 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -110.31 -179.89 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.6 mt -71.95 -19.7 61.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.161 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -79.89 -54.76 5.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.979 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' A' ' 77' ' ' GLU . 10.0 m170 -63.94 -27.73 69.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -87.4 6.78 32.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.422 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 -32.19 8.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.536 ' HB2' HG12 ' A' ' 75' ' ' VAL . 78.9 m-70 -98.91 9.06 44.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.43 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.58 35.04 24.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 73' ' ' HIS . 11.1 p -138.48 148.95 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.5 p -95.51 174.23 7.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.821 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.401 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 21.0 tt0 -69.26 -29.23 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.63 -28.55 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -105.88 -30.35 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.095 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.87 82.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -111.93 31.47 6.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.9 170.75 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.18 -31.65 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.5 p -151.09 136.06 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 56' ' ' VAL . 6.0 t -141.88 157.42 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.434 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.5 t80 -99.89 126.4 46.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.87 118.32 7.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.6 m 59.66 32.34 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.434 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 70.81 34.87 66.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.99 142.57 21.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.764 0.316 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.554 ' CB ' HD12 ' A' ' 104' ' ' LEU . 92.2 m-20 -79.97 136.39 36.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -140.21 -177.75 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -142.79 151.89 41.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -80.86 96.11 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 35.7 t -82.0 103.08 11.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -65.68 -28.8 69.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -40.17 69.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.2 m -115.22 10.35 15.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.353 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.8 t 52.58 16.99 0.72 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -129.45 173.64 10.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.767 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -85.25 156.58 20.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -143.71 159.51 42.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.74 149.3 47.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.554 HD12 ' CB ' ' A' ' 91' ' ' ASN . 1.2 mt -61.27 -23.24 65.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -89.99 14.88 11.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.34 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -108.75 27.85 9.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.778 0.323 . . . . 0.0 111.029 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -147.33 59.71 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.01 158.63 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.99 -171.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.78 51.98 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -113.42 120.27 40.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -93.84 47.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.69 -173.17 4.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.48 169.46 11.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.0 ttp85 -107.64 24.9 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.316 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -43.85 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.042 0.449 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.08 -33.58 6.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.002 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -35.83 75.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.416 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -73.93 92.17 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.8 mt -117.5 -37.2 3.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.88 142.5 41.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -77.75 -34.39 52.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.493 ' HA ' HD11 ' A' ' 87' ' ' LEU . 10.8 t -60.15 142.62 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.15 158.71 19.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.82 22.21 12.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.318 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.1 t -89.95 111.15 22.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.814 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 t -103.45 31.03 4.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.91 132.46 35.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.68 109.45 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.1 mtp -101.89 31.3 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.964 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -84.93 -31.34 23.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -118.23 50.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.36 151.09 22.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 169.71 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.73 -15.42 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.278 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -79.82 -30.26 40.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -101.47 32.3 3.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -117.51 -66.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -26.47 39.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.461 ' HB3' HG12 ' A' ' 75' ' ' VAL . 17.8 m-70 -76.55 -18.53 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm 63.06 31.21 16.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.461 HG12 ' HB3' ' A' ' 73' ' ' HIS . 12.6 p -144.77 137.34 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.997 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -88.8 173.02 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -67.08 -29.58 69.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.212 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.58 -28.66 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.38 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.485 ' CG ' HG21 ' A' ' 56' ' ' VAL . 22.9 m80 -106.62 -30.68 8.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.052 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.39 -38.68 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.01 -20.89 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.8 131.24 35.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.861 0.363 . . . . 0.0 111.254 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -67.11 -30.22 70.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.1 p -157.92 139.02 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.425 HG11 HG11 ' A' ' 56' ' ' VAL . 6.0 t -125.81 157.44 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.3 OUTLIER -98.92 81.01 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.703 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 56' ' ' VAL . 2.4 tp -89.38 111.61 22.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.35 31.03 20.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 76.34 46.54 12.23 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.88 150.72 22.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.82 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.433 ' HB3' HD13 ' A' ' 104' ' ' LEU . 82.5 m-20 -81.27 120.14 24.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -136.4 163.04 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.403 ' O ' ' CD2' ' A' ' 101' ' ' PHE . 8.3 ttm180 -134.99 165.69 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -90.09 116.24 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 50.4 t -93.5 102.57 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.41 -28.2 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -41.5 86.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 27.4 m -113.49 12.86 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.434 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.1 t 52.12 17.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -130.6 -179.59 5.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.812 0.339 . . . . 0.0 110.771 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 93' ' ' ARG . 5.2 m-85 -93.1 158.45 15.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.06 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -144.39 145.97 32.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -58.93 156.69 11.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 91' ' ' ASN . 1.0 OUTLIER -67.89 -25.36 65.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.987 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -6.92 51.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.376 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -79.88 -33.9 39.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.37 161.1 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.8 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.2 -38.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -52.4 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.7 -29.68 28.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.387 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -64.31 108.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -93.09 48.39 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.13 -168.71 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.84 139.77 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.573 ' HG3' ' HB2' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -96.83 22.06 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -90.17 -66.34 0.93 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.973 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -100.52 -31.7 11.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -42.45 92.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.573 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.517 HD12 HD11 ' A' ' 53' ' ' LEU . 4.3 mm? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -134.01 57.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.517 HD11 HD12 ' A' ' 51' ' ' LEU . 2.6 mt -106.9 24.72 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.998 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.8 t -73.31 135.65 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -69.98 -33.61 72.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 85' ' ' VAL . 25.1 t -60.66 141.29 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.05 157.82 17.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 60.83 26.23 16.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.3 t -80.45 145.31 31.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.6 p -151.38 24.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.96 155.53 19.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -68.97 124.86 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -133.16 30.08 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -48.94 60.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -153.34 84.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.08 -79.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.85 154.76 20.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -27.23 17.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -79.93 -29.13 39.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -98.53 29.48 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -112.12 -70.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -52.65 -31.11 35.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -82.13 -26.26 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.995 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt 60.72 47.52 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 76' ' ' CYS . 10.7 p -133.23 153.78 38.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.41 ' N ' HG22 ' A' ' 75' ' ' VAL . 30.7 m -90.73 150.63 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.21 -33.21 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.633 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.584 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 14.4 t -76.25 -31.28 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.434 ' CG ' HG21 ' A' ' 56' ' ' VAL . 13.1 m170 -85.47 -28.0 25.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.14 -44.12 48.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -101.59 35.55 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.03 144.82 25.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -33.6 72.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.779 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.5 p -170.86 108.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 56' ' ' VAL . 6.3 t -100.05 157.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.029 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.41 ' N ' HG12 ' A' ' 85' ' ' VAL . 4.0 t80 -81.83 117.05 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 tp -144.43 118.46 9.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 t 58.68 26.3 14.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.409 ' HA2' ' CZ ' ' A' ' 86' ' ' PHE . . . 90.91 -45.83 2.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.777 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.95 164.55 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.973 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -86.72 129.88 34.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.761 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -131.47 155.78 46.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.973 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.38 158.6 32.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -74.77 133.93 41.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.7 t -114.39 103.88 11.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.79 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -67.05 -14.85 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.26 -39.56 71.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.746 0.307 . . . . 0.0 111.294 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.1 m -120.0 -3.43 10.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.446 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.57 1.31 2.52 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -96.4 -169.82 1.97 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.3 126.39 54.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -122.05 153.44 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.021 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -54.39 164.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.45 -11.01 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.353 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.22 19.79 4.83 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.702 0.287 . . . . 0.0 111.462 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.37 30.53 4.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -141.89 107.11 4.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.805 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.72 163.98 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.16 -70.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.49 74.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -81.75 166.27 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -149.39 43.38 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.8 m -152.54 179.94 8.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -173.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -139.53 15.48 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.284 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -90.11 -35.67 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 110.782 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 -33.72 6.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -47.96 67.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.743 0.306 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -67.48 98.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mt -136.41 22.3 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.9 t -83.18 132.65 35.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.783 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' OE1' ' CD1' ' A' ' 101' ' ' PHE . 1.8 pt20 -57.9 -29.43 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.541 HG21 ' CG ' ' A' ' 79' ' ' HIS . 8.7 t -74.98 142.34 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -88.54 159.11 18.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.0 25.22 15.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.295 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.1 t -86.31 127.68 34.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.769 0.319 . . . . 0.0 110.747 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.25 -26.8 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.22 120.26 7.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.231 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -78.27 144.88 35.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.6 mtp -102.05 32.3 3.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -77.18 -32.23 55.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -118.82 37.69 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.98 172.03 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -100.2 164.69 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.54 -26.97 68.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -79.96 -29.7 39.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -90.49 0.37 57.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.409 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.58 -63.23 1.28 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.914 0.388 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -54.93 -26.49 36.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.48 ' HB3' HG12 ' A' ' 75' ' ' VAL . 7.9 m-70 -82.8 -19.0 38.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 mttp 64.77 30.34 12.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.48 HG12 ' HB3' ' A' ' 73' ' ' HIS . 10.7 p -137.38 141.08 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.7 p -88.51 167.67 13.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -34.32 76.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.516 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.5 t -58.85 -39.13 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.353 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.541 ' CG ' HG21 ' A' ' 56' ' ' VAL . 21.2 m80 -95.22 -30.62 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.85 -30.04 70.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -98.97 -27.06 14.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -55.53 141.92 35.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.246 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -73.93 -59.53 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.3 p -115.63 157.33 24.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.431 HG11 HG11 ' A' ' 56' ' ' VAL . 6.4 t -148.78 157.52 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.429 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.4 OUTLIER -97.78 83.04 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.481 HD12 HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -93.3 112.63 24.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 p 58.35 34.38 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.429 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 72.24 27.68 69.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 tp -132.32 148.91 52.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -84.47 115.62 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -140.04 165.5 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.429 ' HD3' ' CE1' ' A' ' 107' ' ' PHE . 6.4 mtp-105 -134.03 136.14 43.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.46 111.57 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.01 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 46.2 t -96.52 100.66 12.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.779 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.82 -27.59 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.99 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -43.95 88.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.8 m -109.86 15.05 22.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.336 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.8 t 51.06 18.31 0.54 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -134.97 176.61 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 12.2 m-85 -91.02 160.13 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -141.95 140.5 32.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -57.58 162.78 2.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -27.1 62.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -4.09 43.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.508 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -79.97 -34.51 38.61 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.743 0.306 . . . . 0.0 110.793 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.429 ' CE1' ' HD3' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -146.86 159.62 43.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.71 37.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.34 -173.38 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.15 -28.82 28.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.212 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -65.07 155.23 35.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.756 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -149.73 33.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -154.27 49.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.66 176.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.59 -33.6 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -59.16 124.38 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 74.61 -61.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -47.83 -46.62 31.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.275 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.748 HD12 HD11 ' A' ' 53' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.17 83.11 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.748 HD11 HD12 ' A' ' 51' ' ' LEU . 1.9 mt -134.14 20.13 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -78.6 122.14 25.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.972 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -60.05 -30.55 69.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG11 ' CG1' ' A' ' 85' ' ' VAL . 19.5 t -63.78 120.2 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.144 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.42 159.96 29.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 61.92 22.81 13.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.3 t -78.12 128.91 34.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.805 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.9 p -118.26 24.99 10.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.441 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.13 -165.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -139.39 155.88 47.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -152.64 31.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.68 -35.99 60.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -116.98 41.89 2.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.0 -173.53 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.49 179.03 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.88 -22.91 55.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -80.03 -35.87 36.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -80.56 -26.92 37.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.461 HH21 HD23 ' A' ' 51' ' ' LEU . 25.3 mtt180 -80.01 -33.25 39.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -68.31 -41.72 80.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -86.05 -15.9 39.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.313 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.52 53.86 3.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.005 0.431 . . . . 0.0 110.948 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.5 p -144.1 139.4 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.017 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.0 m -73.96 151.47 40.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.041 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.08 -39.7 95.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.466 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.8 t -67.91 -31.53 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.925 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -83.11 -27.71 29.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.21 -52.09 45.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -101.32 36.34 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -82.75 165.3 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -87.81 -35.92 17.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.9 p -171.29 104.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.512 ' CG1' HG11 ' A' ' 56' ' ' VAL . 6.1 t -87.27 157.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.429 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.5 OUTLIER -96.28 125.57 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.68 109.04 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 m 59.6 39.28 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.429 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.77 27.11 73.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.466 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tp -137.42 148.95 46.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.773 0.32 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -82.19 127.07 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.31 164.56 27.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.45 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 8.7 tpp85 -133.24 156.03 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -81.9 125.12 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.2 t -103.94 96.14 6.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.68 -26.93 64.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -42.31 89.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.7 m -113.11 16.96 19.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.426 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 t 49.35 20.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -135.68 178.25 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.78 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -94.79 160.27 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.158 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -143.69 178.75 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.954 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.86 141.61 49.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.802 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.15 -33.48 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -62.16 -24.23 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -79.97 -16.61 54.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.286 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 93' ' ' ARG . 5.4 m-85 -96.01 37.06 1.25 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.83 0.347 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -98.22 167.35 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 60.35 -176.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.73 -30.17 31.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.269 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -67.65 102.53 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 42.5 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.7 m -147.44 -79.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.4 t -165.95 172.81 11.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.947 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -121.43 21.97 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -68.29 0.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.985 0.421 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -107.07 -27.92 10.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -40.59 76.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.77 0.319 . . . . 0.0 111.151 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -141.44 79.21 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.442 HD21 ' CD2' ' A' ' 51' ' ' LEU . 1.2 mt -117.09 24.03 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.8 t -88.4 124.23 33.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -65.58 -30.47 71.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.671 ' HA ' HD21 ' A' ' 87' ' ' LEU . 22.1 t -59.47 137.84 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.04 158.5 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.76 25.46 15.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.211 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.38 137.68 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.338 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.1 t -113.83 -22.73 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.01 131.22 50.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -84.56 138.17 32.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.817 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.1 mtp -103.07 41.83 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -72.78 -55.31 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -92.48 52.38 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.66 140.65 29.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 165.14 22.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mp -54.75 -24.84 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 80.2 t80 -79.88 -39.9 29.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.801 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -76.36 -25.33 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -45.52 18.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -60.13 -48.05 83.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.402 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 14.8 m-70 -77.85 -20.06 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 63.69 62.38 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.861 0.362 . . . . 0.0 110.667 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.54 HG13 ' HB2' ' A' ' 80' ' ' ALA . 10.9 p -155.49 136.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 33.2 m -67.69 159.89 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.68 -39.13 90.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.589 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.611 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.6 t -73.21 -30.32 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.928 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -85.1 -27.16 26.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.013 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.54 ' HB2' HG13 ' A' ' 75' ' ' VAL . . . -90.02 12.74 16.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.653 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.48 28.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.09 -170.64 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.74 -31.16 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.77 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.561 ' HB3' HD11 ' A' ' 104' ' ' LEU . 1.2 p -172.66 109.0 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.444 HG11 HG11 ' A' ' 56' ' ' VAL . 5.6 t -89.57 157.62 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.036 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.0 OUTLIER -97.23 92.08 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.671 HD21 ' HA ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -107.91 116.79 32.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t 59.92 35.88 21.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.8 35.63 89.95 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.56 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -170.49 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.829 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.509 ' HB3' HD12 ' A' ' 104' ' ' LEU . 61.5 m-20 -123.42 85.36 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -103.94 166.66 10.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.93 143.26 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -71.99 117.7 13.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.5 t -96.36 103.71 15.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -65.0 -25.89 68.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.002 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.66 -41.58 81.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.092 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.8 m -118.43 2.4 11.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.417 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t 63.54 5.77 2.28 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -100.86 -170.02 1.79 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -118.2 122.35 42.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.734 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 8.5 m-70 -119.52 143.01 47.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.998 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.11 164.0 1.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 84' ' ' SER . 13.4 mt -75.78 -18.98 59.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.227 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -90.11 17.79 6.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.381 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -109.07 -30.33 8.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 27.9 m-85 -82.13 135.38 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -101.67 152.35 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 60.57 -163.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.75 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -94.26 39.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.183 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -102.25 137.98 39.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.07 35.45 1.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.447 ' HB2' HD22 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -138.82 160.07 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.004 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.56 -177.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.11 13.66 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -35.07 15.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.773 0.321 . . . . 0.0 110.791 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.81 -33.15 6.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 113' ' ' SER . 9.6 tp -71.01 -52.32 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.881 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.832 0.348 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.4 mmt-85 -78.26 98.9 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -128.47 -41.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 t -52.18 136.79 29.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -83.17 -28.41 29.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.693 HG11 HG11 ' A' ' 85' ' ' VAL . 9.5 t -57.96 143.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -86.92 160.5 18.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mtp-105 65.16 20.21 11.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.3 t -87.36 143.12 27.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.783 0.325 . . . . 0.0 110.805 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 p -140.82 26.61 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.219 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.11 126.39 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -69.86 115.34 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.5 mtp -98.45 33.89 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -82.92 -31.88 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -117.91 31.57 6.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.91 -178.92 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.57 170.01 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -9.45 58.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.369 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -79.92 -28.3 39.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -98.17 41.9 1.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -126.63 -56.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -58.54 -31.29 67.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.502 ' HB2' HG12 ' A' ' 75' ' ' VAL . 31.7 m-70 -86.52 -14.52 42.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? 63.0 33.06 15.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' A' ' 73' ' ' HIS . 9.7 p -138.97 145.42 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 p -94.94 176.43 6.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -68.66 -34.95 76.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.57 -29.46 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.241 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.456 ' CD2' HG11 ' A' ' 56' ' ' VAL . 27.9 m80 -106.49 -30.24 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.13 82.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -78.49 -30.85 47.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.58 168.89 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.06 -60.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.53 139.66 49.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.693 HG11 HG11 ' A' ' 56' ' ' VAL . 6.3 t -134.83 157.57 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.419 ' CZ ' ' HA2' ' A' ' 89' ' ' GLY . 1.1 t80 -84.41 98.17 9.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mp -115.45 116.56 28.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.61 34.37 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.419 ' HA2' ' CZ ' ' A' ' 86' ' ' PHE . . . 73.84 27.67 66.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.547 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.479 HD22 ' OD1' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -141.3 165.12 28.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.806 0.336 . . . . 0.0 110.851 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.07 103.51 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -118.26 146.91 43.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 18.9 mtm180 -110.93 132.95 53.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -63.53 120.34 11.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.7 t -103.75 107.29 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.62 -29.39 66.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -31.98 65.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 28.4 m -121.25 3.48 10.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.377 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.0 t 61.65 7.33 1.85 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.42 171.63 8.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.817 0.342 . . . . 0.0 110.74 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -86.07 152.74 22.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.025 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 7.0 m-70 -137.54 133.33 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.479 ' OD1' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -56.8 165.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 104' ' ' LEU . 7.5 mt -70.78 -29.99 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.24 15.34 10.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.329 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.7 -34.05 12.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 6.3 m-85 -83.04 160.77 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -68.86 -30.92 69.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -174.01 -77.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.46 29.35 5.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.157 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -64.97 112.53 3.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 28.05 3.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -164.42 29.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.281 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.5 -173.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -138.12 25.79 2.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.222 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.07 -36.58 14.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.5 -33.57 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 tp -64.99 -53.32 47.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.266 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.7 HD12 ' HG ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.759 0.314 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.93 79.77 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.7 ' HG ' HD12 ' A' ' 51' ' ' LEU . 75.8 mt -107.77 -30.05 8.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.965 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 t -58.32 129.25 41.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -67.84 -30.31 69.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.62 HG11 ' CG1' ' A' ' 85' ' ' VAL . 8.7 t -64.94 145.35 14.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -90.03 163.33 14.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 61.62 20.59 11.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.428 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -78.27 119.73 22.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 110.753 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.5 p -101.47 -28.82 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.872 ' HB2' HG21 ' A' ' 78' ' ' VAL . . . -56.83 136.64 55.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.54 115.31 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.85 29.88 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HE2' HD23 ' A' ' 51' ' ' LEU . 32.8 tttm -90.11 -38.24 13.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -104.01 61.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.51 ' HB3' ' HG3' ' A' ' 71' ' ' ARG . . . -99.28 146.1 26.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.059 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.22 172.87 11.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.31 -28.79 68.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -79.94 -30.0 39.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -89.14 -28.12 20.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.51 ' HG3' ' HB3' ' A' ' 66' ' ' ALA . 24.3 mtt180 -80.02 -36.86 35.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -62.67 -49.75 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.499 ' HB2' HG12 ' A' ' 75' ' ' VAL . 42.0 m-70 -77.08 -8.82 58.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.68 31.41 9.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.838 0.352 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.499 HG12 ' HB2' ' A' ' 73' ' ' HIS . 11.0 p -131.87 142.97 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.0 p -90.57 172.58 8.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.16 -35.84 82.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.253 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.872 HG21 ' HB2' ' A' ' 61' ' ' ALA . 22.2 t -58.13 -34.76 50.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.362 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.611 ' CD2' HG13 ' A' ' 85' ' ' VAL . 26.0 m80 -100.26 -28.12 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.28 -30.47 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -92.7 -35.95 13.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.73 130.39 46.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.401 ' HA ' ' HG3' ' A' ' 93' ' ' ARG . 16.4 p -100.68 36.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.27 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.62 ' CG1' HG11 ' A' ' 56' ' ' VAL . 5.9 t -89.23 157.45 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.425 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 2.3 t80 -101.96 68.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.5 tp -91.97 123.11 35.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.9 m 60.37 32.61 20.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.425 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.35 35.33 90.08 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.445 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.486 HD22 ' OD1' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -145.19 154.16 42.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.814 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.515 ' CB ' HD22 ' A' ' 104' ' ' LEU . 12.6 m-80 -84.53 113.48 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -125.8 140.12 52.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.401 ' HG3' ' HA ' ' A' ' 83' ' ' SER . 7.3 ttm180 -110.89 125.17 53.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.71 93.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 39.5 t -76.97 101.82 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -66.09 -25.56 67.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -40.51 77.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 19.3 m -114.74 10.2 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.285 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.4 t 54.88 14.71 0.95 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -127.19 169.33 13.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.326 . . . . 0.0 110.776 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -86.58 146.9 26.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.043 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -132.17 150.64 52.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.773 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.486 ' OD1' HD22 ' A' ' 90' ' ' LEU . 7.3 t70 -59.51 152.32 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.515 HD22 ' CB ' ' A' ' 91' ' ' ASN . 15.8 tp -57.98 -22.53 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.15 41.26 1.04 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -139.74 25.9 2.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.041 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -150.41 95.35 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.78 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.97 172.32 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.43 -177.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.21 62.69 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.049 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.818 ' HD2' HD23 ' A' ' 118' ' ' LEU . 10.7 mmtm -132.18 148.58 52.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -121.12 37.91 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.407 ' HB2' HD22 ' A' ' 118' ' ' LEU . 4.3 m -164.03 177.65 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.36 155.88 11.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.912 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.55 29.13 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -90.14 -43.35 10.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.72 -36.28 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.818 HD23 ' HD2' ' A' ' 111' ' ' LYS . 3.4 tp -59.36 -39.74 84.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -76.88 81.12 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 mt -111.58 -30.39 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.29 131.79 51.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -68.36 -30.62 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.416 HG11 HG11 ' A' ' 85' ' ' VAL . 8.0 t -61.05 142.77 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -87.67 160.11 18.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 64.2 17.44 10.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.8 t -90.11 105.15 17.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.852 0.358 . . . . 0.0 110.673 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.3 p -98.63 30.03 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.289 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.98 158.27 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -100.26 146.34 27.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 46.0 mtp -135.02 35.22 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -59.83 -40.03 87.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.72 72.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.63 151.04 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 175.63 9.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 mp -72.15 -13.1 61.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.271 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -79.81 -28.55 40.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.743 0.306 . . . . 0.0 111.044 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -98.03 -29.78 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.7 mtp85 -80.06 -33.63 38.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -74.8 -34.59 62.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -92.36 -12.9 31.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.311 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 32.16 12.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.808 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.8 p -134.22 119.02 29.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.8 p -71.91 173.78 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.41 -34.76 76.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.523 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 22.5 t -59.03 -30.07 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -105.29 -27.95 11.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.07 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.78 -32.53 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -96.42 -25.58 15.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -56.17 -22.43 28.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.411 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 70.14 -66.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 p -101.79 128.51 48.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG11 HG11 ' A' ' 56' ' ' VAL . 6.1 t -126.77 157.6 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.411 ' CZ ' ' O ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -95.98 82.09 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 tp -98.96 123.35 43.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.013 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m 57.52 24.8 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.411 ' O ' ' CZ ' ' A' ' 86' ' ' PHE . . . 94.36 -36.13 3.9 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.648 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.62 172.09 13.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -107.12 119.75 40.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.714 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.83 138.73 50.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 15.9 mmm-85 -97.28 153.14 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -76.9 110.46 11.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.3 t -91.37 98.9 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -27.22 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -40.78 83.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 25.9 m -113.81 15.98 18.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.288 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t 49.58 19.95 0.44 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -135.25 -178.72 5.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.877 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -95.51 161.17 14.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 8.4 m-70 -145.12 149.03 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -57.34 153.8 11.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.975 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tp -65.97 -26.69 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.009 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -84.36 4.07 32.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.78 -36.67 17.16 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.872 0.368 . . . . 0.0 110.987 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 12.9 m-85 -82.21 149.77 27.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.66 126.06 34.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 64.2 -79.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -167.62 34.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -58.81 163.78 3.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.59 25.99 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.8 168.06 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.0 178.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -132.53 29.68 4.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.16 -66.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -106.78 -29.97 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -40.61 84.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.852 0.358 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.428 ' O ' HD23 ' A' ' 53' ' ' LEU . 17.3 mmm180 -115.3 101.23 8.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 52' ' ' ARG . 2.7 mt -142.26 22.79 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.93 144.09 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -89.63 -29.82 18.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.982 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.437 HG11 HG11 ' A' ' 85' ' ' VAL . 15.3 t -57.97 143.65 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.218 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -89.99 157.31 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? 61.2 27.33 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.6 t -78.76 129.51 34.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.1 t -113.48 -22.25 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.444 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.63 144.06 56.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -90.69 138.61 31.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.0 mtp -106.42 31.38 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -31.71 50.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -131.17 77.92 1.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.1 155.74 27.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 159.21 18.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -25.86 63.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -79.9 -28.7 39.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -97.65 36.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -120.34 -69.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -57.63 -31.61 66.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -72.76 -20.77 61.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mttt 61.57 46.6 7.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.805 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 p -146.92 144.28 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 29.4 m -80.67 156.3 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -61.72 -40.91 96.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.63 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.75 -30.8 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -83.42 -29.69 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.98 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.99 10.5 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.66 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -150.24 28.8 0.73 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.763 0.316 . . . . 0.0 110.993 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.99 178.08 6.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 -31.18 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 98.4 p -166.61 93.6 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.437 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -79.91 157.61 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.417 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.9 OUTLIER -93.96 127.35 39.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.26 111.82 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.736 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.15 23.56 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.417 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 94.36 -35.02 4.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.693 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tp -79.99 156.38 27.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -79.88 133.65 36.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.18 176.07 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.434 ' HB3' ' CD2' ' A' ' 107' ' ' PHE . 1.3 mmm180 -159.84 161.96 34.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -90.09 141.06 29.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.3 t -116.02 100.79 8.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -26.23 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.799 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -47.88 80.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.9 m -116.51 14.72 15.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.177 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t 46.66 23.3 0.23 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.417 ' HB2' ' CE1' ' A' ' 102' ' ' HIS . 2.5 mtm-85 -110.56 -174.18 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -116.72 105.75 12.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.666 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 100' ' ' ARG . 8.1 m-70 -105.01 159.01 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.039 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -55.85 161.88 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.218 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.88 -25.65 63.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.037 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -26.26 12.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.082 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -79.86 -30.66 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.827 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' A' ' 93' ' ' ARG . 91.3 m-85 -103.0 29.64 5.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.95 160.41 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 62.55 -80.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.1 -179.22 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm 60.92 113.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.16 35.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.7 -174.38 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.7 175.68 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.808 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -127.46 19.35 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.271 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -67.64 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.943 0.402 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -98.5 -31.44 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -39.42 81.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.745 0.307 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.45 81.77 8.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mt -105.3 -21.71 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -53.25 141.14 24.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -76.64 -32.96 58.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.659 HG11 HG11 ' A' ' 85' ' ' VAL . 8.2 t -65.64 142.43 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.24 161.43 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.21 23.2 13.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.9 t -73.39 116.94 14.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.759 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.2 p -88.32 -30.97 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.585 ' HB2' HG21 ' A' ' 78' ' ' VAL . . . -59.88 136.4 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.13 161.25 18.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.26 32.71 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -60.41 -30.86 69.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -130.72 77.77 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.61 154.84 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -101.39 175.04 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.23 -28.18 66.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -79.93 -23.24 41.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -109.57 46.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.915 0.388 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -124.88 -78.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -26.37 61.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -79.0 -27.27 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt 62.21 46.58 6.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.4 p -145.37 151.62 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.3 p -100.53 170.76 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.44 -35.78 81.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.678 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 23.6 t -58.1 -33.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.256 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -102.23 -28.8 12.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.976 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.2 -30.72 66.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -123.69 39.1 4.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.91 -175.44 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 p -105.72 -32.84 8.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.6 p -169.87 123.49 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.659 HG11 HG11 ' A' ' 56' ' ' VAL . 5.7 t -114.66 157.52 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.05 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.439 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.4 OUTLIER -102.75 83.27 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 tp -93.34 117.62 30.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.2 t 59.77 33.32 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 68.59 28.1 73.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.547 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.46 165.52 24.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -91.87 115.96 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -137.79 156.26 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.412 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 0.7 OUTLIER -133.57 142.62 48.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.82 99.38 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.59 99.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -25.5 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -50.32 74.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 4.0 m -109.8 7.66 24.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.264 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.14 13.74 1.29 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.573 0.225 . . . . 0.0 111.575 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 98' ' ' CYS . 1.0 OUTLIER -101.08 -175.79 2.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.741 0.305 . . . . 0.0 110.945 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -111.72 102.37 10.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -103.45 151.29 22.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -63.2 159.71 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.15 -32.06 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -61.32 -24.35 66.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -80.04 -30.77 39.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 93' ' ' ARG . 2.6 m-85 -64.99 -38.77 92.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t70 59.93 163.96 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -73.4 -36.07 65.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.94 -48.78 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -86.61 169.03 13.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.3 40.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.69 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.39 -173.06 3.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -96.16 -45.87 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -58.22 124.45 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 75.05 -61.75 0.47 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -43.25 19.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.039 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.848 0.356 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 91.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 63' ' ' MET . 62.6 mt -114.07 -33.5 5.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.29 141.4 46.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -83.39 -30.91 27.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 85' ' ' VAL . 6.8 t -61.22 145.8 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.069 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.06 161.68 16.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.36 17.8 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.3 t -81.99 132.72 35.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 t -127.37 24.24 6.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.05 165.26 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -95.82 143.14 27.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.462 ' HB3' HD12 ' A' ' 53' ' ' LEU . 1.8 mtp -139.77 34.49 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -66.68 -36.51 82.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -140.93 76.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.1 -174.04 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.29 161.34 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.37 -23.95 62.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -79.89 -35.51 37.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -85.49 -28.49 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -31.48 39.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -74.59 -37.84 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -86.41 -12.16 49.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.338 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 mttt 63.99 35.29 10.77 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.54 143.76 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.8 p -94.92 173.45 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.88 -36.06 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.7 t -56.69 -30.25 31.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.411 ' CD2' HG11 ' A' ' 56' ' ' VAL . 23.1 m80 -103.51 -27.82 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.72 -30.54 70.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.003 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -112.05 30.6 6.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.99 130.95 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 m -71.28 -31.48 67.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.7 p -158.59 100.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -83.57 157.68 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.6 OUTLIER -106.45 85.87 2.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.17 116.77 32.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 59.54 32.06 21.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 69.99 27.26 73.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tp -130.96 149.91 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -79.87 116.14 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -134.06 160.7 36.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.29 153.14 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -81.14 115.11 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 99' ' ' SER . 50.3 t -89.68 96.88 10.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -59.18 -25.11 63.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -49.4 77.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.176 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.0 m -108.81 -3.68 17.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.447 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 95' ' ' CYS . 3.1 t 71.17 -2.9 2.21 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -93.77 -174.03 3.33 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.951 0.405 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -113.98 123.19 49.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.728 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -119.1 163.11 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.61 162.8 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 tp -75.65 -28.57 58.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -21.36 47.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -79.84 -27.81 40.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -103.11 43.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -129.45 36.21 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.95 -157.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.542 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -91.07 38.34 0.96 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.833 0.349 . . . . 0.0 111.223 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -151.1 87.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.24 54.64 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.971 0.415 . . . . 0.0 110.987 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m 179.66 54.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.98 -174.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.974 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.23 -34.14 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 20.7 ttm180 -59.76 130.38 46.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 116' ' ' ARG . 1.1 mmm180 68.34 -63.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.29 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -43.7 17.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.132 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.913 HD12 HD11 ' A' ' 53' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -94.24 88.98 5.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.913 HD11 HD12 ' A' ' 51' ' ' LEU . 1.8 mt -133.02 21.57 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.069 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -85.16 128.49 34.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -60.28 -35.89 76.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.738 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.565 HG11 HG11 ' A' ' 85' ' ' VAL . 13.7 t -62.7 124.41 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.059 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -78.98 159.64 27.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? 63.22 22.55 13.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.33 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.6 t -85.24 132.95 34.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.695 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -120.28 28.6 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.516 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.12 137.25 32.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.49 120.33 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.2 mtp -106.63 38.12 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -59.49 -34.38 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -133.83 79.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.77 169.17 9.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.57 166.4 17.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.74 -17.98 64.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.256 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -79.9 -28.86 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -97.59 -28.87 13.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -80.11 -31.2 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -75.25 -51.28 13.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.036 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -73.21 -8.68 56.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.415 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mttm 63.27 46.49 4.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.907 0.384 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 76' ' ' CYS . 11.2 p -135.72 158.77 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.487 ' N ' HG22 ' A' ' 75' ' ' VAL . 27.7 m -96.0 148.94 22.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.033 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.74 -32.66 71.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.469 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.793 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 22.9 t -75.46 -32.5 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.765 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -81.54 -28.51 33.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.78 96.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.208 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.25 45.98 2.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.793 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.96 175.9 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.85 73.41 2.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 p 62.98 109.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.565 HG11 HG11 ' A' ' 56' ' ' VAL . 5.6 t -90.8 157.62 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.427 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 5.3 t80 -90.77 89.33 7.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 tp -112.03 124.72 53.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.64 20.34 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.261 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.427 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 93.41 -38.31 3.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.725 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.05 167.76 18.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.994 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -87.95 113.21 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -123.33 123.8 41.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.809 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -105.1 171.6 7.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -88.66 158.03 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.4 t -131.64 94.47 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.648 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -23.44 27.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.26 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -54.13 49.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.171 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.8 m -105.46 -4.68 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.452 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t 69.61 -1.0 2.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.36 -171.23 2.59 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -110.04 128.96 55.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -127.29 147.56 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.019 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -64.68 166.58 8.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.068 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.69 -31.93 63.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -25.59 65.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.8 -30.85 40.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -82.11 149.56 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -162.88 175.01 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 60.52 176.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.65 -31.14 69.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -78.44 123.99 27.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 52.98 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.51 175.58 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 161.19 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.067 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -29.9 24.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 132.34 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 77.18 -59.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.978 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.34 -58.47 6.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.081 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.55 -58.43 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 108.12 107.75 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -28.13 41.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.9 156.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.49 -71.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 60.24 179.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -130.18 159.0 38.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -130.61 -56.14 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -110.91 165.78 11.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.4 m -113.15 157.88 21.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.3 m -88.32 139.97 29.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -173.47 -127.85 1.02 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.542 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.887 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.789 0.328 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -99.83 82.68 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 mt -109.73 -22.44 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.2 t -53.67 126.89 23.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.893 0.377 . . . . 0.0 111.119 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -66.7 -31.23 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 85' ' ' VAL . 24.1 t -60.49 115.95 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.08 154.46 41.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 60.76 29.55 19.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.97 148.65 44.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.1 p -110.16 -32.86 6.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.2 137.93 58.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -92.21 135.25 34.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mtp -106.54 36.23 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -65.47 -34.92 79.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -142.22 83.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.15 176.98 6.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.19 172.86 8.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -31.21 69.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -80.82 -29.69 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -98.16 32.5 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -125.99 -51.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -66.07 -33.3 75.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -89.31 -25.43 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt 65.45 55.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.806 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 p -143.52 141.54 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.0 m -73.11 152.69 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.92 -33.87 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.608 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 30.7 t -78.81 -30.87 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -83.02 -28.99 29.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.68 -56.38 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -100.51 41.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -81.53 177.06 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.37 -29.89 9.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -172.23 102.8 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -96.75 157.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.411 ' N ' HG12 ' A' ' 85' ' ' VAL . 5.1 t80 -96.04 105.98 18.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.3 122.01 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 59.02 25.6 14.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 86' ' ' PHE . . . 90.44 -46.48 3.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.664 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.89 164.56 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.387 . . . . 0.0 110.951 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -80.03 145.24 32.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -150.67 161.45 42.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.448 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 3.3 mmm180 -139.33 147.06 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.02 128.54 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.006 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.8 t -110.3 97.21 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -28.73 67.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -48.1 77.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 6.8 m -111.18 20.55 17.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.246 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 t 44.27 25.12 0.1 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -135.83 -173.59 3.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -106.79 156.11 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 19.2 m-70 -140.46 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -68.1 148.57 50.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.9 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -22.05 64.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.127 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.86 -41.26 26.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.448 ' CE2' ' HB2' ' A' ' 93' ' ' ARG . 75.3 m-85 -76.58 159.5 30.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -172.93 -178.47 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -60.34 -178.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.32 -78.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -107.12 146.31 31.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.54 44.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.6 m -146.23 56.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.43 164.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.572 ' HG2' ' HB2' ' A' ' 119' ' ' ALA . 1.2 ttp180 -126.31 23.88 6.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -90.14 -70.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.24 -30.87 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -43.99 92.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.572 ' HB2' ' HG2' ' A' ' 115' ' ' ARG . . . -60.27 100.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -92.19 118.12 5.45 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -63.58 119.91 10.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.771 0.319 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.58 85.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.808 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -158.29 -179.86 8.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -142.58 -49.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.18 92.81 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -149.36 -68.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -116.19 -36.27 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.39 100.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 48.2 t -87.7 -71.19 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 136.22 -97.63 0.27 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.929 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 51' ' ' LEU . 3.5 mm? . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.812 0.339 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -100.34 82.2 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -110.79 -25.89 9.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -54.71 123.18 12.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.864 0.364 . . . . 0.0 110.998 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -60.28 -30.99 69.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.697 ' HA ' HD21 ' A' ' 87' ' ' LEU . 7.5 t -62.56 143.42 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.02 160.94 16.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 62.08 23.09 13.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.363 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.2 t -84.94 108.48 17.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.7 p -104.41 31.0 4.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.34 -171.91 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -121.3 109.09 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.3 mtp -98.94 30.96 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -75.65 -54.26 7.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.753 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -101.84 46.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.1 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.083 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -85.46 164.95 17.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -21.5 64.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 85.3 t80 -79.94 -53.43 6.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.352 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -62.35 -29.45 70.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.06 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -79.95 -30.99 39.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -48.74 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.409 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 45.0 m-70 -79.47 -3.06 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.493 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mttt 61.49 43.38 10.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.003 0.43 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.9 p -147.4 147.71 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.9 p -97.23 171.57 8.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -68.82 -33.39 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.606 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 29.6 t -59.9 -29.71 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.436 ' CD2' HG11 ' A' ' 56' ' ' VAL . 18.5 m80 -105.52 -30.72 9.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.79 -31.65 68.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -115.02 29.56 7.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.12 178.13 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -104.36 -32.62 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.7 p -162.75 141.0 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.546 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -133.31 157.44 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.051 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.413 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.9 OUTLIER -104.67 84.69 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' A' ' 56' ' ' VAL . 1.3 mt -98.62 121.64 40.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m 59.76 42.42 16.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.413 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 60.76 26.71 65.43 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.496 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 tp -139.9 148.08 41.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -80.37 123.74 28.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -142.27 148.06 37.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -113.31 160.64 18.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -82.15 112.98 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.015 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.4 t -87.71 105.98 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.665 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -23.0 66.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -39.63 90.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.6 m -117.45 17.74 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.393 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t 45.69 23.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -135.09 173.21 11.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.805 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -85.49 154.97 21.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.08 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -142.42 168.9 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.4 148.37 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.6 tp -69.14 -13.67 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.362 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -90.12 17.92 6.46 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.486 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -107.16 -30.8 8.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -102.6 152.82 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.53 162.83 38.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.009 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.16 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.983 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.56 41.19 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.4 97.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.07 27.39 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 m 60.74 175.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.41 178.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.38 23.35 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -90.0 -66.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -91.37 -30.44 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -50.77 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.33 97.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -70.48 66.19 0.77 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -122.47 94.18 4.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -105.62 164.13 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -117.01 77.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.5 -47.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.18 132.02 53.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.94 78.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.74 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.46 54.17 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.91 82.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.974 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.8 m -104.88 -60.43 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 139.22 -28.55 2.58 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.975 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' O ' HD23 ' A' ' 53' ' ' LEU . 5.1 mpt_? -82.31 102.37 11.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 52' ' ' ARG . 2.3 mt -142.18 23.6 2.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.79 131.86 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -67.67 -29.62 68.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.789 HG11 ' CD2' ' A' ' 79' ' ' HIS . 10.8 t -65.32 144.94 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -90.07 161.24 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.033 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 12.4 mtm105 61.85 22.62 13.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.5 t -86.21 127.89 34.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.8 p -140.44 29.43 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.93 160.09 16.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.86 115.47 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.84 32.01 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.45 -47.39 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.16 56.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.99 156.17 27.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -175.05 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.11 -26.47 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -79.96 -29.54 39.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -98.63 33.67 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.59 -78.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -58.16 -26.57 62.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -77.22 -22.12 52.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.2 mttm 62.33 44.9 7.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 p -146.41 140.99 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -91.1 173.74 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.63 -29.39 67.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.179 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.51 -29.67 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.278 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.789 ' CD2' HG11 ' A' ' 56' ' ' VAL . 16.4 m80 -104.57 -30.26 10.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.981 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.64 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.18 33.45 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.42 147.14 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -51.34 24.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.0 p -159.26 113.67 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -98.02 157.12 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -97.04 96.33 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 87' ' ' LEU . 8.5 tp -114.89 128.48 56.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t 61.09 32.52 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.18 29.88 73.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.16 158.5 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.819 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -80.1 125.03 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -140.43 119.43 12.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.45 ' CG ' ' CE2' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -89.84 160.0 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -79.03 113.46 17.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.6 t -84.25 106.18 15.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.664 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.0 -15.2 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.299 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.92 -36.94 67.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.667 0.27 . . . . 0.0 111.301 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.0 m -122.18 -0.74 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.519 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.76 3.27 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -96.33 -170.18 2.05 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -115.69 119.89 37.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -118.35 158.08 25.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.42 161.19 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.025 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.39 -28.59 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.16 16.4 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.445 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -109.78 31.08 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.936 0.398 . . . . 0.0 110.949 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.45 ' CE2' ' CG ' ' A' ' 93' ' ' ARG . 97.6 m-85 -140.69 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.52 153.74 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -34.58 78.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.25 -45.8 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -95.81 128.47 42.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -98.35 33.86 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -131.44 168.76 17.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.22 176.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.965 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.43 ' HG3' ' HB2' ' A' ' 119' ' ' ALA . 6.6 ttt-85 -130.28 17.0 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.38 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -90.12 -36.02 15.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.69 -31.86 7.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -43.81 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.43 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . . . -82.9 -44.61 15.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.73 110.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -93.22 101.83 14.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -80.79 88.13 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -74.52 121.55 21.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -161.0 161.48 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -108.33 128.49 54.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.03 124.41 44.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -92.27 154.98 18.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.21 108.8 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.7 m 60.59 177.58 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 105.71 -137.2 13.64 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.834 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.74 0.305 . . . . 0.0 111.276 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -111.19 82.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.617 HD12 ' CB ' ' A' ' 63' ' ' MET . 5.2 mt -94.8 -28.36 15.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.174 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.6 t -57.55 139.34 53.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -76.94 -31.49 56.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.6 HG11 HG11 ' A' ' 85' ' ' VAL . 8.5 t -60.77 145.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -90.01 160.3 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.02 20.32 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.316 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.7 t -90.1 124.28 34.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.81 0.338 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -111.78 29.63 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.98 152.5 21.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.071 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.42 130.07 46.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.617 ' CB ' HD12 ' A' ' 53' ' ' LEU . 43.3 mtp -125.79 37.62 4.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -59.93 -42.71 94.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -136.96 74.24 1.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.7 -175.83 3.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -79.51 164.2 24.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.41 -18.06 63.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.204 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.433 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 86.5 t80 -79.97 -38.77 31.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.777 0.322 . . . . 0.0 110.956 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -77.96 -28.87 49.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.066 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -80.0 -31.17 39.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 -76.12 -31.36 58.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.433 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 21.6 m-70 -94.81 -9.42 34.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.405 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 mttp 61.59 42.56 10.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.9 p -145.07 143.93 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.0 p -92.57 169.0 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.34 -34.58 78.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.1 t -58.99 -38.14 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.357 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -96.77 -30.26 13.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.39 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.73 31.45 6.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.94 174.36 7.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.5 t -102.82 -30.75 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.8 p -165.49 118.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.6 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -104.95 157.57 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.411 ' N ' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -101.59 85.98 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.804 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.478 HD12 HG13 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -98.22 117.85 33.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.5 m 58.73 23.42 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.401 ' O ' ' CE1' ' A' ' 86' ' ' PHE . . . 95.21 -28.6 11.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.592 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.04 149.52 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.435 ' HB2' HD22 ' A' ' 104' ' ' LEU . 13.1 m-20 -80.26 117.08 20.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -120.36 147.46 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 2.1 tpp180 -114.62 144.87 42.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.785 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -70.16 108.84 4.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 48.7 t -92.34 101.05 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -65.03 -26.31 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -41.69 80.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.994 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.1 m -113.96 13.57 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.306 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t 52.11 17.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -131.26 176.64 8.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.76 0.314 . . . . 0.0 110.911 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -92.87 155.34 17.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.145 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 9.2 m-70 -141.37 166.27 25.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.765 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.48 150.15 47.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.731 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' ' 91' ' ' ASN . 2.8 tp -58.53 -30.64 67.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -65.38 -17.01 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -96.72 34.06 1.74 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 93' ' ' ARG . 84.2 m-85 -148.59 119.3 7.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.12 165.93 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -63.94 -33.65 76.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.92 -46.7 5.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 137.41 49.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 40.68 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.708 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.477 ' HB2' ' HG ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -141.1 -166.45 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.91 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -169.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.698 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.17 -28.9 9.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.952 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.98 127.58 33.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.62 -60.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.25 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.477 ' HG ' ' HB2' ' A' ' 113' ' ' SER . 0.1 OUTLIER -46.7 -49.01 20.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.259 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.0 -168.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -126.24 -96.35 1.01 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.395 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -123.31 109.77 14.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -74.82 177.09 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -138.66 95.49 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -118.22 -56.18 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -133.41 29.84 3.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.49 143.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 166.68 19.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.9 p -61.53 115.28 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.3 p -123.03 -42.59 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -56.28 136.05 49.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.634 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.864 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.488 HD12 ' CG ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.803 0.335 . . . . 0.0 111.182 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 90.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.488 ' CG ' HD12 ' A' ' 51' ' ' LEU . 81.4 mt -112.08 -28.02 8.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 t -56.07 129.52 40.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.01 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.34 -26.07 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.642 HG11 HG11 ' A' ' 85' ' ' VAL . 10.0 t -57.53 143.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.178 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -86.78 160.68 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.3 21.64 12.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.304 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.2 t -89.43 142.55 27.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.878 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.4 p -142.15 25.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.08 122.7 33.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -63.55 112.33 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.0 mtp -98.15 35.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -70.99 -31.33 67.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -110.31 41.56 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.93 178.61 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.63 -179.32 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.007 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.68 -22.68 67.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -79.87 -29.15 39.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.02 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -97.95 -29.13 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -79.98 -47.18 15.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -59.55 -41.93 91.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -82.99 -11.76 57.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.272 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.3 mttp 61.13 42.03 12.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.919 0.39 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -146.21 144.49 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 p -95.81 176.28 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.58 -31.27 69.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.126 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.3 t -61.92 -28.44 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.362 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.51 ' CD2' HG11 ' A' ' 56' ' ' VAL . 34.7 m80 -110.19 -29.9 7.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -33.89 72.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -86.12 -40.12 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.38 70.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.52 -67.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.8 p -77.27 106.09 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.642 HG11 HG11 ' A' ' 56' ' ' VAL . 7.1 t -121.85 157.52 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.412 ' N ' HG12 ' A' ' 85' ' ' VAL . 1.7 t80 -88.78 90.62 8.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -116.53 133.88 55.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.795 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.4 m 60.34 39.6 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.81 27.98 65.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.453 HD22 ' OD1' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -151.46 166.68 30.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' A' ' 104' ' ' LEU . 18.6 m120 -86.82 115.72 24.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -121.79 162.99 19.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -126.28 155.52 41.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.787 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -75.14 124.71 27.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 50.9 t -106.03 99.75 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.814 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -26.13 67.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -44.35 94.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.019 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.0 m -111.52 15.47 21.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.474 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 t 50.67 18.63 0.5 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -132.84 -178.59 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.779 0.323 . . . . 0.0 110.758 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -95.8 159.39 15.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.168 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 9.2 m-70 -144.34 160.36 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.453 ' OD1' HD22 ' A' ' 90' ' ' LEU . 18.1 t0 -63.27 158.76 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.431 HD12 ' HB2' ' A' ' 91' ' ' ASN . 5.8 mt -70.66 -15.78 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.274 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.18 18.81 5.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.379 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -111.42 -33.99 6.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.763 0.316 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 21.7 m-85 -89.85 160.57 16.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.93 165.23 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.03 -31.32 69.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.2 -54.21 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -71.26 134.6 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.801 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -117.36 42.65 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.16 -167.06 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.99 157.67 20.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 119' ' ' ALA . 21.4 mtm105 -81.72 -27.96 33.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.72 135.32 49.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.742 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 71.6 -63.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.89 -61.95 1.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 115' ' ' ARG . . . -72.95 120.9 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 103.26 88.68 2.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -121.18 -66.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -102.95 123.25 46.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.0 -39.21 5.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.03 87.88 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -93.01 96.07 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.61 102.91 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -130.61 -178.46 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.2 m -119.21 39.71 3.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.25 129.84 41.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 136.74 -77.52 0.35 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.56 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.846 0.355 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.36 74.57 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.64 -29.32 7.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.26 122.88 12.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -60.01 -28.76 67.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.553 ' CG1' HG11 ' A' ' 85' ' ' VAL . 4.1 t -64.19 145.78 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.12 160.24 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.89 19.48 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.288 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.9 t -90.06 138.29 31.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.1 t -137.17 35.78 2.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.206 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.08 148.95 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -89.98 119.53 30.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.3 mtp -108.07 32.51 4.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -75.12 -34.25 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -124.38 55.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.51 174.47 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -84.88 167.91 15.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -20.48 64.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -79.82 -43.39 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -74.13 -25.26 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -79.93 -44.5 20.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 ttm-85 -59.07 -50.32 74.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -73.48 -12.1 60.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.335 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp 61.7 53.48 3.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 p -154.39 148.11 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.5 p -93.71 158.57 15.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.85 -32.84 72.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.275 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.614 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.6 t -56.12 -42.77 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.45 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.454 ' CD2' HG11 ' A' ' 56' ' ' VAL . 17.8 m80 -90.2 -29.4 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.979 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.55 -29.21 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.66 40.22 3.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.72 -30.22 18.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m 69.59 10.23 7.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.476 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 p -179.64 113.56 0.05 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.685 0.279 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.553 HG11 ' CG1' ' A' ' 56' ' ' VAL . 3.9 t -131.22 156.7 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.201 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.412 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.3 t80 -99.64 92.36 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tp -107.06 111.25 23.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.47 35.68 24.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.412 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 73.05 26.79 69.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.73 149.27 43.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.606 ' CB ' HD12 ' A' ' 104' ' ' LEU . 5.1 m120 -79.95 122.71 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -132.84 161.79 33.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.441 ' HB2' ' CE1' ' A' ' 107' ' ' PHE . 37.6 mtp180 -130.7 151.69 50.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.795 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -76.14 109.0 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 46.7 t -92.58 101.18 13.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -63.79 -26.97 68.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' OE1' HD22 ' A' ' 118' ' ' LEU . 5.7 mt-30 -59.09 -41.79 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.066 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.9 m -113.61 16.51 18.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.405 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t 49.26 20.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -134.73 -177.41 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.698 0.285 . . . . 0.0 110.778 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -99.47 159.98 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.191 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -143.34 178.91 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.16 150.34 45.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.606 HD12 ' CB ' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -59.05 -21.29 58.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -88.3 50.36 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.975 0.417 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -155.4 26.55 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 93' ' ' ARG . 25.9 m-85 -155.08 64.08 0.64 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.702 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -178.2 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.069 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.46 -33.28 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.51 -56.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.743 ' HG2' HD23 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -92.13 146.07 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -107.04 35.05 3.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.7 m -152.88 -59.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . 0.401 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 0.5 OUTLIER -175.11 179.36 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.818 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.552 ' HG2' ' HB2' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -130.62 26.65 5.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -54.32 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.5 ttm105 -111.88 -33.86 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.743 HD23 ' HG2' ' A' ' 111' ' ' LYS . 5.3 tp -58.66 -38.61 78.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.552 ' HB2' ' HG2' ' A' ' 115' ' ' ARG . . . -60.38 -30.65 69.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 103.04 -99.28 1.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -121.68 123.3 41.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -106.35 56.46 0.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -162.48 128.57 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -110.88 126.7 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.78 -169.01 1.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 62.38 152.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.976 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -65.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.59 126.37 10.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.0 p -111.79 129.97 55.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 138.51 -69.21 0.49 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.784 0.326 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -144.67 77.06 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 mt -108.74 -28.14 9.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.1 t -56.86 132.33 52.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.085 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -81.64 -25.83 35.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.56 HG11 HG11 ' A' ' 85' ' ' VAL . 21.8 t -56.88 123.88 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.201 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.74 157.21 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.95 25.99 15.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.7 t -74.44 133.64 42.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.829 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 p -132.04 28.51 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.263 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.93 179.76 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.011 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -108.0 121.94 45.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.3 mtt -120.29 31.09 6.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -65.09 -43.02 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -136.33 80.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.19 161.68 17.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -79.25 175.91 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -25.28 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.441 ' CZ ' ' NE2' ' A' ' 73' ' ' HIS . 73.9 t80 -79.89 -52.82 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -64.46 -18.47 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.91 -32.56 40.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -46.11 60.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.441 ' NE2' ' CZ ' ' A' ' 69' ' ' TYR . 77.9 m-70 -80.0 -25.58 40.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.62 53.97 1.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.957 0.408 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 ' HB2' ' A' ' 80' ' ' ALA . 9.8 p -150.94 138.6 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.5 m -72.35 160.58 32.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -62.23 -32.02 72.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.835 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 5.2 t -76.53 -30.8 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.506 ' HB3' HG21 ' A' ' 56' ' ' VAL . 31.4 m170 -89.86 -22.96 21.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.434 ' HB2' HG13 ' A' ' 75' ' ' VAL . . . -85.16 -44.06 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.244 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.05 26.43 4.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.835 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.08 155.63 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 p -85.53 -31.51 22.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.71 106.22 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.56 HG11 HG11 ' A' ' 56' ' ' VAL . 6.1 t -96.65 157.59 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.015 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.43 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 2.1 t80 -90.05 79.18 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.0 122.7 41.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.14 32.78 21.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.98 27.4 73.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.623 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.43 -173.85 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -114.09 110.87 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -138.14 145.66 41.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 107' ' ' PHE . 12.3 ttm-85 -111.94 136.03 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.2 112.09 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.61 98.17 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.43 -26.68 68.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.71 72.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.027 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.6 m -119.34 12.99 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.343 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 t 54.35 15.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -129.91 178.62 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.83 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -95.88 156.7 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -141.67 154.05 45.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.1 154.3 27.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.83 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.21 -27.58 64.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -73.45 -8.29 55.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -96.32 29.8 2.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 35.9 m-85 -145.0 68.07 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -58.87 142.64 50.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.026 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 58.57 -177.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.43 65.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.044 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -125.78 124.78 41.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.3 mtt85 -97.1 40.49 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.96 171.37 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.16 -172.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.517 ' HG3' ' HB2' ' A' ' 119' ' ' ALA . 30.6 ttt-85 -138.14 27.84 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.232 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -90.05 -66.34 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.048 0.452 . . . . 0.0 110.894 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -103.55 -29.5 11.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -58.18 -39.83 79.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.517 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . . . -65.72 -169.28 0.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.62 -159.44 26.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.533 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.68 160.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -128.57 179.11 5.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -108.68 -38.15 5.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.72 40.99 15.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.764 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.0 -53.58 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.48 -49.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -120.85 131.44 54.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.08 86.54 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.5 t -169.47 142.36 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -172.21 33.86 0.13 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.615 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.211 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.45 88.07 7.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.77 HD11 HD22 ' A' ' 51' ' ' LEU . 2.1 mt -138.0 22.92 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.27 134.3 33.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -65.58 -30.47 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 85' ' ' VAL . 5.6 t -69.45 144.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.93 159.85 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.001 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 61.51 25.12 15.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.331 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.0 t -81.6 101.55 10.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.346 . . . . 0.0 110.751 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 p -98.45 27.24 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.07 159.7 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -99.13 118.52 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.33 31.05 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -31.4 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -121.99 68.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.79 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.72 -175.84 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -110.31 -179.89 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.6 mt -71.95 -19.7 61.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.161 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -79.89 -54.76 5.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.979 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' A' ' 77' ' ' GLU . 10.0 m170 -63.94 -27.73 69.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -87.4 6.78 32.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.422 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 -32.19 8.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.763 0.316 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.536 ' HB2' HG12 ' A' ' 75' ' ' VAL . 78.9 m-70 -98.91 9.06 44.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.43 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.58 35.04 24.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 73' ' ' HIS . 11.1 p -138.48 148.95 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.5 p -95.51 174.23 7.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.821 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.401 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 21.0 tt0 -69.26 -29.23 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.63 -28.55 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -105.88 -30.35 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.095 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.87 82.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -111.93 31.47 6.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.9 170.75 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.18 -31.65 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.5 p -151.09 136.06 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.63 HG11 HG11 ' A' ' 56' ' ' VAL . 6.0 t -141.88 157.42 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.434 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.5 t80 -99.89 126.4 46.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.87 118.32 7.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.6 m 59.66 32.34 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.434 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 70.81 34.87 66.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.99 142.57 21.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.764 0.316 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.554 ' CB ' HD12 ' A' ' 104' ' ' LEU . 92.2 m-20 -79.97 136.39 36.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -140.21 -177.75 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -142.79 151.89 41.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -80.86 96.11 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 35.7 t -82.0 103.08 11.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -65.68 -28.8 69.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -40.17 69.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.2 m -115.22 10.35 15.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.353 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.8 t 52.58 16.99 0.72 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -129.45 173.64 10.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.767 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -85.25 156.58 20.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -143.71 159.51 42.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.74 149.3 47.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.554 HD12 ' CB ' ' A' ' 91' ' ' ASN . 1.2 mt -61.27 -23.24 65.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -89.99 14.88 11.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.34 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -108.75 27.85 9.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.778 0.323 . . . . 0.0 111.029 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -147.33 59.71 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.01 158.63 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.99 -171.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.78 51.98 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -113.42 120.27 40.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -93.84 47.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.69 -173.17 4.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.48 169.46 11.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 48.0 ttp85 -107.64 24.9 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.316 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -43.85 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.042 0.449 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.08 -33.58 6.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.002 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -35.83 75.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.26 21.01 4.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.416 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -62.28 -28.64 71.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.377 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -66.28 -30.39 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 110.79 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.74 177.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.8 172.47 12.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.68 36.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -76.5 -175.39 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -107.39 -57.87 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -111.95 107.1 15.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -34.68 78.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 m -69.49 147.79 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.72 84.81 1.83 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.919 179.903 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -73.93 92.17 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.8 mt -117.5 -37.2 3.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.88 142.5 41.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -77.75 -34.39 52.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.493 ' HA ' HD11 ' A' ' 87' ' ' LEU . 10.8 t -60.15 142.62 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.15 158.71 19.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.82 22.21 12.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.318 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.1 t -89.95 111.15 22.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.814 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 t -103.45 31.03 4.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.91 132.46 35.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.68 109.45 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.1 mtp -101.89 31.3 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.964 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -84.93 -31.34 23.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -118.23 50.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.36 151.09 22.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 169.71 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.73 -15.42 61.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.278 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -79.82 -30.26 40.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -101.47 32.3 3.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -117.51 -66.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -26.47 39.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.461 ' HB3' HG12 ' A' ' 75' ' ' VAL . 17.8 m-70 -76.55 -18.53 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm 63.06 31.21 16.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.461 HG12 ' HB3' ' A' ' 73' ' ' HIS . 12.6 p -144.77 137.34 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.997 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -88.8 173.02 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -67.08 -29.58 69.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.212 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.58 -28.66 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.38 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.485 ' CG ' HG21 ' A' ' 56' ' ' VAL . 22.9 m80 -106.62 -30.68 8.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.052 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.39 -38.68 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.01 -20.89 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.8 131.24 35.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.861 0.363 . . . . 0.0 111.254 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -67.11 -30.22 70.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.1 p -157.92 139.02 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.425 HG11 HG11 ' A' ' 56' ' ' VAL . 6.0 t -125.81 157.44 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.979 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.3 OUTLIER -98.92 81.01 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.703 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 56' ' ' VAL . 2.4 tp -89.38 111.61 22.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.35 31.03 20.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 76.34 46.54 12.23 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.88 150.72 22.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.82 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.433 ' HB3' HD13 ' A' ' 104' ' ' LEU . 82.5 m-20 -81.27 120.14 24.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -136.4 163.04 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.403 ' O ' ' CD2' ' A' ' 101' ' ' PHE . 8.3 ttm180 -134.99 165.69 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -90.09 116.24 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 50.4 t -93.5 102.57 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.41 -28.2 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -41.5 86.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 27.4 m -113.49 12.86 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.434 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.1 t 52.12 17.22 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -130.6 -179.59 5.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.812 0.339 . . . . 0.0 110.771 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 93' ' ' ARG . 5.2 m-85 -93.1 158.45 15.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.06 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -144.39 145.97 32.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -58.93 156.69 11.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 91' ' ' ASN . 1.0 OUTLIER -67.89 -25.36 65.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.987 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -6.92 51.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.376 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -79.88 -33.9 39.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.37 161.1 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.8 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.2 -38.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -52.4 -178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.7 -29.68 28.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.387 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -64.31 108.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -93.09 48.39 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.13 -168.71 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.84 139.77 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.573 ' HG3' ' HB2' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -96.83 22.06 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -90.17 -66.34 0.93 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.973 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -100.52 -31.7 11.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -42.45 92.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.573 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . . . -65.85 -73.1 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -86.15 87.57 1.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.423 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -99.9 -28.49 13.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 60.88 165.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -143.87 146.56 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 -99.69 93.76 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.8 mmm-85 60.82 178.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.16 143.33 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 117.2 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.7 t -158.28 37.19 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.87 -179.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 173.72 145.4 5.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.542 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.882 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.517 HD12 HD11 ' A' ' 53' ' ' LEU . 4.3 mm? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -134.01 57.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.517 HD11 HD12 ' A' ' 51' ' ' LEU . 2.6 mt -106.9 24.72 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.998 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.8 t -73.31 135.65 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -69.98 -33.61 72.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 85' ' ' VAL . 25.1 t -60.66 141.29 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.05 157.82 17.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 60.83 26.23 16.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.048 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.3 t -80.45 145.31 31.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.6 p -151.38 24.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.96 155.53 19.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -68.97 124.86 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -133.16 30.08 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -48.94 60.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -153.34 84.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.08 -79.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.85 154.76 20.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -27.23 17.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -79.93 -29.13 39.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -98.53 29.48 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -112.12 -70.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -52.65 -31.11 35.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -82.13 -26.26 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.995 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt 60.72 47.52 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 76' ' ' CYS . 10.7 p -133.23 153.78 38.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.41 ' N ' HG22 ' A' ' 75' ' ' VAL . 30.7 m -90.73 150.63 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.21 -33.21 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.633 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.584 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 14.4 t -76.25 -31.28 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.434 ' CG ' HG21 ' A' ' 56' ' ' VAL . 13.1 m170 -85.47 -28.0 25.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.14 -44.12 48.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -101.59 35.55 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.03 144.82 25.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -33.6 72.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.779 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.5 p -170.86 108.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 56' ' ' VAL . 6.3 t -100.05 157.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.029 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.41 ' N ' HG12 ' A' ' 85' ' ' VAL . 4.0 t80 -81.83 117.05 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 tp -144.43 118.46 9.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 t 58.68 26.3 14.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.409 ' HA2' ' CZ ' ' A' ' 86' ' ' PHE . . . 90.91 -45.83 2.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.777 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.95 164.55 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.973 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -86.72 129.88 34.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.761 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -131.47 155.78 46.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.973 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.38 158.6 32.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -74.77 133.93 41.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.7 t -114.39 103.88 11.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.79 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -67.05 -14.85 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.26 -39.56 71.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.746 0.307 . . . . 0.0 111.294 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.1 m -120.0 -3.43 10.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.446 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.57 1.31 2.52 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -96.4 -169.82 1.97 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.3 126.39 54.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -122.05 153.44 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.021 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -54.39 164.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.45 -11.01 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.353 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.22 19.79 4.83 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.702 0.287 . . . . 0.0 111.462 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.37 30.53 4.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -141.89 107.11 4.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.805 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.72 163.98 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.16 -70.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.29 -40.49 74.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -81.75 166.27 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -149.39 43.38 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.8 m -152.54 179.94 8.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -173.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -139.53 15.48 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.284 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -90.11 -35.67 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 110.782 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 -33.72 6.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -47.96 67.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.02 101.6 11.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -77.05 134.69 15.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.563 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -103.66 35.9 2.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.812 0.339 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -100.97 144.61 29.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -85.01 161.91 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 121.25 25.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -74.29 -169.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -104.86 -71.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.66 -175.96 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.34 -66.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.1 t -109.88 -51.92 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.78 -111.7 3.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.427 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.861 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.743 0.306 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -67.48 98.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mt -136.41 22.3 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.9 t -83.18 132.65 35.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.783 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' OE1' ' CD1' ' A' ' 101' ' ' PHE . 1.8 pt20 -57.9 -29.43 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.541 HG21 ' CG ' ' A' ' 79' ' ' HIS . 8.7 t -74.98 142.34 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -88.54 159.11 18.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.0 25.22 15.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.295 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.1 t -86.31 127.68 34.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.769 0.319 . . . . 0.0 110.747 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.25 -26.8 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.22 120.26 7.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.231 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -78.27 144.88 35.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.6 mtp -102.05 32.3 3.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -77.18 -32.23 55.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -118.82 37.69 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.98 172.03 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -100.2 164.69 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.54 -26.97 68.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -79.96 -29.7 39.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -90.49 0.37 57.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.409 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.58 -63.23 1.28 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.914 0.388 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -54.93 -26.49 36.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.48 ' HB3' HG12 ' A' ' 75' ' ' VAL . 7.9 m-70 -82.8 -19.0 38.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 mttp 64.77 30.34 12.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.48 HG12 ' HB3' ' A' ' 73' ' ' HIS . 10.7 p -137.38 141.08 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.7 p -88.51 167.67 13.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -34.32 76.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.516 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.5 t -58.85 -39.13 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.353 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.541 ' CG ' HG21 ' A' ' 56' ' ' VAL . 21.2 m80 -95.22 -30.62 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.85 -30.04 70.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.197 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -98.97 -27.06 14.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -55.53 141.92 35.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.246 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -73.93 -59.53 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.3 p -115.63 157.33 24.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.431 HG11 HG11 ' A' ' 56' ' ' VAL . 6.4 t -148.78 157.52 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.429 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.4 OUTLIER -97.78 83.04 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.481 HD12 HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -93.3 112.63 24.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 p 58.35 34.38 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.429 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 72.24 27.68 69.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 tp -132.32 148.91 52.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -84.47 115.62 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -140.04 165.5 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.429 ' HD3' ' CE1' ' A' ' 107' ' ' PHE . 6.4 mtp-105 -134.03 136.14 43.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.46 111.57 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.01 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 46.2 t -96.52 100.66 12.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.779 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.82 -27.59 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.99 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -43.95 88.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.8 m -109.86 15.05 22.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.336 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.8 t 51.06 18.31 0.54 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -134.97 176.61 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 12.2 m-85 -91.02 160.13 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -141.95 140.5 32.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -57.58 162.78 2.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -27.1 62.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -4.09 43.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.508 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -79.97 -34.51 38.61 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.743 0.306 . . . . 0.0 110.793 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.429 ' CE1' ' HD3' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -146.86 159.62 43.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.71 37.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.34 -173.38 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.15 -28.82 28.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.212 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -65.07 155.23 35.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.756 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -149.73 33.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -154.27 49.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.66 176.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.59 -33.6 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -59.16 124.38 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 74.61 -61.67 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -47.83 -46.62 31.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.275 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.43 93.24 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -161.26 74.85 0.19 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -140.09 -47.71 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.945 0.402 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -131.28 136.39 48.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -130.89 163.11 28.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.55 -31.35 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 56.29 -176.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -159.84 89.38 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.78 139.76 43.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 m -111.9 40.28 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 m -65.93 161.14 21.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -155.11 111.92 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.901 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.748 HD12 HD11 ' A' ' 53' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.17 83.11 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.748 HD11 HD12 ' A' ' 51' ' ' LEU . 1.9 mt -134.14 20.13 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -78.6 122.14 25.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.972 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -60.05 -30.55 69.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG11 ' CG1' ' A' ' 85' ' ' VAL . 19.5 t -63.78 120.2 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.144 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.42 159.96 29.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 61.92 22.81 13.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.3 t -78.12 128.91 34.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.805 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.9 p -118.26 24.99 10.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.441 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.13 -165.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -139.39 155.88 47.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -152.64 31.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.68 -35.99 60.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -116.98 41.89 2.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.0 -173.53 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.49 179.03 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.88 -22.91 55.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -80.03 -35.87 36.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -80.56 -26.92 37.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.461 HH21 HD23 ' A' ' 51' ' ' LEU . 25.3 mtt180 -80.01 -33.25 39.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -68.31 -41.72 80.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -86.05 -15.9 39.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.313 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.52 53.86 3.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.005 0.431 . . . . 0.0 110.948 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.5 p -144.1 139.4 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.017 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.0 m -73.96 151.47 40.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.041 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.08 -39.7 95.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.466 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.8 t -67.91 -31.53 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.925 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -83.11 -27.71 29.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.21 -52.09 45.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -101.32 36.34 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -82.75 165.3 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -87.81 -35.92 17.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.9 p -171.29 104.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.512 ' CG1' HG11 ' A' ' 56' ' ' VAL . 6.1 t -87.27 157.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.429 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.5 OUTLIER -96.28 125.57 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.68 109.04 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 m 59.6 39.28 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.429 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.77 27.11 73.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.466 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tp -137.42 148.95 46.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.773 0.32 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -82.19 127.07 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.31 164.56 27.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.45 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 8.7 tpp85 -133.24 156.03 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -81.9 125.12 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.2 t -103.94 96.14 6.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.68 -26.93 64.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -42.31 89.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 18.7 m -113.11 16.96 19.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.426 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 t 49.35 20.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -135.68 178.25 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.78 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -94.79 160.27 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.158 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -143.69 178.75 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.954 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.86 141.61 49.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.802 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.15 -33.48 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -62.16 -24.23 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -79.97 -16.61 54.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.286 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 93' ' ' ARG . 5.4 m-85 -96.01 37.06 1.25 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.83 0.347 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -98.22 167.35 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 60.35 -176.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.73 -30.17 31.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.269 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -67.65 102.53 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.796 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 42.5 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.7 m -147.44 -79.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.4 t -165.95 172.81 11.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.947 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -121.43 21.97 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -68.29 0.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.985 0.421 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -107.07 -27.92 10.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -40.59 76.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.99 118.56 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 109.85 -47.16 1.07 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.402 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.0 -72.97 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.768 0.318 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 68.75 -70.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -70.56 121.32 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.72 -66.97 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -164.14 32.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 60.03 104.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -143.87 -52.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.8 t -86.96 135.83 33.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.6 m -107.18 -47.68 3.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 82.43 -68.92 3.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.963 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.77 0.319 . . . . 0.0 111.151 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -141.44 79.21 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.442 HD21 ' CD2' ' A' ' 51' ' ' LEU . 1.2 mt -117.09 24.03 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.8 t -88.4 124.23 33.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -65.58 -30.47 71.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.671 ' HA ' HD21 ' A' ' 87' ' ' LEU . 22.1 t -59.47 137.84 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.04 158.5 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.76 25.46 15.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.211 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.38 137.68 32.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.338 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.1 t -113.83 -22.73 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.01 131.22 50.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -84.56 138.17 32.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.817 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.1 mtp -103.07 41.83 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -72.78 -55.31 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -92.48 52.38 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.66 140.65 29.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 165.14 22.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mp -54.75 -24.84 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CE1' ' NE2' ' A' ' 73' ' ' HIS . 80.2 t80 -79.88 -39.9 29.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.801 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -76.36 -25.33 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -45.52 18.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -60.13 -48.05 83.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.402 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 14.8 m-70 -77.85 -20.06 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 63.69 62.38 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.861 0.362 . . . . 0.0 110.667 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.54 HG13 ' HB2' ' A' ' 80' ' ' ALA . 10.9 p -155.49 136.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 33.2 m -67.69 159.89 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.68 -39.13 90.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.589 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.611 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.6 t -73.21 -30.32 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.928 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -85.1 -27.16 26.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.013 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.54 ' HB2' HG13 ' A' ' 75' ' ' VAL . . . -90.02 12.74 16.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.653 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.48 28.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.799 0.333 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -90.09 -170.64 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.74 -31.16 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.77 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.561 ' HB3' HD11 ' A' ' 104' ' ' LEU . 1.2 p -172.66 109.0 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.444 HG11 HG11 ' A' ' 56' ' ' VAL . 5.6 t -89.57 157.62 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.036 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 1.0 OUTLIER -97.23 92.08 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.671 HD21 ' HA ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -107.91 116.79 32.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t 59.92 35.88 21.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.8 35.63 89.95 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.56 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -170.49 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.829 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.509 ' HB3' HD12 ' A' ' 104' ' ' LEU . 61.5 m-20 -123.42 85.36 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -103.94 166.66 10.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.93 143.26 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -71.99 117.7 13.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.5 t -96.36 103.71 15.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -65.0 -25.89 68.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.002 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.66 -41.58 81.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.092 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.8 m -118.43 2.4 11.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.417 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t 63.54 5.77 2.28 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -100.86 -170.02 1.79 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -118.2 122.35 42.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.734 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 8.5 m-70 -119.52 143.01 47.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.998 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.11 164.0 1.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 84' ' ' SER . 13.4 mt -75.78 -18.98 59.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.227 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -90.11 17.79 6.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.381 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -109.07 -30.33 8.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 27.9 m-85 -82.13 135.38 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -101.67 152.35 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 60.57 -163.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.75 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -94.26 39.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.183 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -102.25 137.98 39.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.07 35.45 1.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.447 ' HB2' HD22 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -138.82 160.07 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.004 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.56 -177.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.11 13.66 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -35.07 15.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.773 0.321 . . . . 0.0 110.791 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.81 -33.15 6.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 113' ' ' SER . 9.6 tp -71.01 -52.32 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.82 98.0 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -118.66 138.51 13.74 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 37.7 m80 60.1 179.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -131.58 -177.95 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -77.82 119.22 21.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -158.22 163.93 37.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.65 34.54 2.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -163.23 131.04 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -140.43 -46.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 t -97.41 39.87 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -35.7 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.88 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -166.15 47.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.94 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.832 0.348 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.4 mmt-85 -78.26 98.9 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -128.47 -41.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 t -52.18 136.79 29.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -83.17 -28.41 29.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.693 HG11 HG11 ' A' ' 85' ' ' VAL . 9.5 t -57.96 143.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -86.92 160.5 18.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mtp-105 65.16 20.21 11.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.214 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.3 t -87.36 143.12 27.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.783 0.325 . . . . 0.0 110.805 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 p -140.82 26.61 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.219 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.11 126.39 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -69.86 115.34 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.5 mtp -98.45 33.89 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -82.92 -31.88 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -117.91 31.57 6.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.91 -178.92 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.57 170.01 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -9.45 58.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.369 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -79.92 -28.3 39.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -98.17 41.9 1.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -126.63 -56.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -58.54 -31.29 67.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.502 ' HB2' HG12 ' A' ' 75' ' ' VAL . 31.7 m-70 -86.52 -14.52 42.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? 63.0 33.06 15.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' A' ' 73' ' ' HIS . 9.7 p -138.97 145.42 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.2 p -94.94 176.43 6.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -68.66 -34.95 76.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.57 -29.46 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.241 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.456 ' CD2' HG11 ' A' ' 56' ' ' VAL . 27.9 m80 -106.49 -30.24 9.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.13 82.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -78.49 -30.85 47.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.58 168.89 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.06 -60.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.53 139.66 49.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.693 HG11 HG11 ' A' ' 56' ' ' VAL . 6.3 t -134.83 157.57 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.419 ' CZ ' ' HA2' ' A' ' 89' ' ' GLY . 1.1 t80 -84.41 98.17 9.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mp -115.45 116.56 28.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.61 34.37 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.419 ' HA2' ' CZ ' ' A' ' 86' ' ' PHE . . . 73.84 27.67 66.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.547 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.479 HD22 ' OD1' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -141.3 165.12 28.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.806 0.336 . . . . 0.0 110.851 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.07 103.51 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -118.26 146.91 43.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 18.9 mtm180 -110.93 132.95 53.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -63.53 120.34 11.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.7 t -103.75 107.29 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.62 -29.39 66.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -31.98 65.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 28.4 m -121.25 3.48 10.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.377 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.0 t 61.65 7.33 1.85 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.42 171.63 8.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.817 0.342 . . . . 0.0 110.74 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -86.07 152.74 22.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.025 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 7.0 m-70 -137.54 133.33 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.709 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.479 ' OD1' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -56.8 165.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 104' ' ' LEU . 7.5 mt -70.78 -29.99 66.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.24 15.34 10.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.329 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.7 -34.05 12.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 6.3 m-85 -83.04 160.77 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -68.86 -30.92 69.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -174.01 -77.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.46 29.35 5.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.157 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -64.97 112.53 3.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 28.05 3.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -164.42 29.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.281 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.5 -173.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -138.12 25.79 2.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.222 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.07 -36.58 14.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.5 -33.57 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 tp -64.99 -53.32 47.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.13 91.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.266 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 141.17 -178.22 20.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.523 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -114.05 -38.22 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.96 0.41 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 60.8 95.13 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -133.33 108.03 8.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.57 78.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 59.42 97.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.13 -46.2 9.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -41.36 94.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 80.0 p -102.08 152.84 20.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 41.7 m -158.66 98.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 92.31 139.75 9.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.931 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.7 HD12 ' HG ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.759 0.314 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.93 79.77 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.7 ' HG ' HD12 ' A' ' 51' ' ' LEU . 75.8 mt -107.77 -30.05 8.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.965 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 t -58.32 129.25 41.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -67.84 -30.31 69.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.62 HG11 ' CG1' ' A' ' 85' ' ' VAL . 8.7 t -64.94 145.35 14.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -90.03 163.33 14.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 61.62 20.59 11.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.428 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -78.27 119.73 22.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 110.753 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.5 p -101.47 -28.82 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.872 ' HB2' HG21 ' A' ' 78' ' ' VAL . . . -56.83 136.64 55.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.54 115.31 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.85 29.88 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HE2' HD23 ' A' ' 51' ' ' LEU . 32.8 tttm -90.11 -38.24 13.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -104.01 61.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.51 ' HB3' ' HG3' ' A' ' 71' ' ' ARG . . . -99.28 146.1 26.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.059 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.22 172.87 11.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.31 -28.79 68.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -79.94 -30.0 39.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -89.14 -28.12 20.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.51 ' HG3' ' HB3' ' A' ' 66' ' ' ALA . 24.3 mtt180 -80.02 -36.86 35.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -62.67 -49.75 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.499 ' HB2' HG12 ' A' ' 75' ' ' VAL . 42.0 m-70 -77.08 -8.82 58.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.68 31.41 9.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.838 0.352 . . . . 0.0 110.966 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.499 HG12 ' HB2' ' A' ' 73' ' ' HIS . 11.0 p -131.87 142.97 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.0 p -90.57 172.58 8.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.16 -35.84 82.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.253 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.872 HG21 ' HB2' ' A' ' 61' ' ' ALA . 22.2 t -58.13 -34.76 50.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.362 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.611 ' CD2' HG13 ' A' ' 85' ' ' VAL . 26.0 m80 -100.26 -28.12 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.28 -30.47 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -92.7 -35.95 13.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.73 130.39 46.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.401 ' HA ' ' HG3' ' A' ' 93' ' ' ARG . 16.4 p -100.68 36.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.27 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.62 ' CG1' HG11 ' A' ' 56' ' ' VAL . 5.9 t -89.23 157.45 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.425 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 2.3 t80 -101.96 68.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.5 tp -91.97 123.11 35.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.9 m 60.37 32.61 20.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.425 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 66.35 35.33 90.08 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.445 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.486 HD22 ' OD1' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -145.19 154.16 42.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.814 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.515 ' CB ' HD22 ' A' ' 104' ' ' LEU . 12.6 m-80 -84.53 113.48 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -125.8 140.12 52.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.401 ' HG3' ' HA ' ' A' ' 83' ' ' SER . 7.3 ttm180 -110.89 125.17 53.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.71 93.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 39.5 t -76.97 101.82 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -66.09 -25.56 67.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -40.51 77.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 19.3 m -114.74 10.2 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.285 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.4 t 54.88 14.71 0.95 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -127.19 169.33 13.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.326 . . . . 0.0 110.776 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -86.58 146.9 26.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.043 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -132.17 150.64 52.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.773 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.486 ' OD1' HD22 ' A' ' 90' ' ' LEU . 7.3 t70 -59.51 152.32 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.515 HD22 ' CB ' ' A' ' 91' ' ' ASN . 15.8 tp -57.98 -22.53 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.15 41.26 1.04 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -139.74 25.9 2.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.041 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -150.41 95.35 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.78 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.97 172.32 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.43 -177.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.21 62.69 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.049 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.818 ' HD2' HD23 ' A' ' 118' ' ' LEU . 10.7 mmtm -132.18 148.58 52.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -121.12 37.91 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.407 ' HB2' HD22 ' A' ' 118' ' ' LEU . 4.3 m -164.03 177.65 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.36 155.88 11.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.912 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.55 29.13 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -90.14 -43.35 10.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.72 -36.28 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.818 HD23 ' HD2' ' A' ' 111' ' ' LYS . 3.4 tp -59.36 -39.74 84.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.75 104.91 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -107.66 -161.75 21.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -111.69 90.52 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -134.07 80.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -157.17 135.86 11.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -176.3 -54.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.3 123.2 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -87.49 164.66 16.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.5 -46.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.0 p -69.72 176.8 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.54 -66.93 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 159.82 43.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.428 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.933 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -76.88 81.12 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 mt -111.58 -30.39 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.2 t -58.29 131.79 51.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -68.36 -30.62 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.416 HG11 HG11 ' A' ' 85' ' ' VAL . 8.0 t -61.05 142.77 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -87.67 160.11 18.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 64.2 17.44 10.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.8 t -90.11 105.15 17.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.852 0.358 . . . . 0.0 110.673 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.3 p -98.63 30.03 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.289 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.98 158.27 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -100.26 146.34 27.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 46.0 mtp -135.02 35.22 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -59.83 -40.03 87.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.72 72.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.63 151.04 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 175.63 9.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 mp -72.15 -13.1 61.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.271 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -79.81 -28.55 40.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.743 0.306 . . . . 0.0 111.044 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -98.03 -29.78 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.7 mtp85 -80.06 -33.63 38.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -74.8 -34.59 62.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -92.36 -12.9 31.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.311 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 32.16 12.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.808 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.8 p -134.22 119.02 29.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.8 p -71.91 173.78 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.41 -34.76 76.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.523 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 22.5 t -59.03 -30.07 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -105.29 -27.95 11.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.07 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.78 -32.53 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -96.42 -25.58 15.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -56.17 -22.43 28.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.411 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 70.14 -66.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 p -101.79 128.51 48.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG11 HG11 ' A' ' 56' ' ' VAL . 6.1 t -126.77 157.6 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.411 ' CZ ' ' O ' ' A' ' 89' ' ' GLY . 0.8 OUTLIER -95.98 82.09 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 tp -98.96 123.35 43.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.013 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m 57.52 24.8 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.411 ' O ' ' CZ ' ' A' ' 86' ' ' PHE . . . 94.36 -36.13 3.9 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.648 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.62 172.09 13.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -107.12 119.75 40.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.714 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.83 138.73 50.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 15.9 mmm-85 -97.28 153.14 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -76.9 110.46 11.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.3 t -91.37 98.9 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -27.22 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -40.78 83.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 25.9 m -113.81 15.98 18.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.288 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t 49.58 19.95 0.44 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -135.25 -178.72 5.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.877 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -95.51 161.17 14.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 8.4 m-70 -145.12 149.03 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -57.34 153.8 11.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.975 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tp -65.97 -26.69 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.009 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -84.36 4.07 32.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.78 -36.67 17.16 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.872 0.368 . . . . 0.0 110.987 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 102' ' ' HIS . 12.9 m-85 -82.21 149.77 27.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.66 126.06 34.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 64.2 -79.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -167.62 34.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -58.81 163.78 3.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.59 25.99 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.8 168.06 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.0 178.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -132.53 29.68 4.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.16 -66.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -106.78 -29.97 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -40.61 84.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.91 82.78 3.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -102.59 128.02 9.4 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.27 109.12 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -153.45 115.4 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.09 31.16 4.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -141.97 119.61 11.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -86.57 162.17 18.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.97 34.28 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.53 30.44 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.84 160.89 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.3 m -129.2 99.48 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 94.37 -42.99 2.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.542 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.944 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.852 0.358 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.428 ' O ' HD23 ' A' ' 53' ' ' LEU . 17.3 mmm180 -115.3 101.23 8.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 52' ' ' ARG . 2.7 mt -142.26 22.79 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.93 144.09 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -89.63 -29.82 18.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.982 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.437 HG11 HG11 ' A' ' 85' ' ' VAL . 15.3 t -57.97 143.65 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.218 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -89.99 157.31 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? 61.2 27.33 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.6 t -78.76 129.51 34.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.1 t -113.48 -22.25 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.444 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.63 144.06 56.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -90.69 138.61 31.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.0 mtp -106.42 31.38 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -31.71 50.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -131.17 77.92 1.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.1 155.74 27.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 159.21 18.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -25.86 63.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -79.9 -28.7 39.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -97.65 36.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -120.34 -69.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -57.63 -31.61 66.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -72.76 -20.77 61.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mttt 61.57 46.6 7.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.805 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 p -146.92 144.28 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 29.4 m -80.67 156.3 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -61.72 -40.91 96.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.63 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.8 t -69.75 -30.8 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -83.42 -29.69 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.98 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.99 10.5 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.66 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -150.24 28.8 0.73 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.763 0.316 . . . . 0.0 110.993 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.99 178.08 6.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 -31.18 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 98.4 p -166.61 93.6 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.437 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -79.91 157.61 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.417 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.9 OUTLIER -93.96 127.35 39.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.26 111.82 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.736 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.15 23.56 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.417 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 94.36 -35.02 4.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.693 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tp -79.99 156.38 27.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -79.88 133.65 36.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.18 176.07 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.434 ' HB3' ' CD2' ' A' ' 107' ' ' PHE . 1.3 mmm180 -159.84 161.96 34.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -90.09 141.06 29.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.3 t -116.02 100.79 8.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -26.23 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.799 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -47.88 80.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.9 m -116.51 14.72 15.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.177 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t 46.66 23.3 0.23 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.417 ' HB2' ' CE1' ' A' ' 102' ' ' HIS . 2.5 mtm-85 -110.56 -174.18 2.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -116.72 105.75 12.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.666 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 100' ' ' ARG . 8.1 m-70 -105.01 159.01 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.039 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -55.85 161.88 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.218 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.88 -25.65 63.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.037 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -26.26 12.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.082 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -79.86 -30.66 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.827 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' A' ' 93' ' ' ARG . 91.3 m-85 -103.0 29.64 5.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.95 160.41 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 62.55 -80.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.1 -179.22 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm 60.92 113.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.16 35.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.7 -174.38 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.7 175.68 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.808 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -127.46 19.35 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.271 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -67.64 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.943 0.402 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -98.5 -31.44 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -39.42 81.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.46 89.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 179.15 140.01 3.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.414 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.87 160.99 31.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -125.34 86.56 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -140.14 94.66 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -90.45 -39.54 12.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.88 175.66 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -143.37 56.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.3 mptt 60.38 97.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.787 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.01 -73.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.8 m 60.47 86.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -134.68 117.06 1.7 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.458 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.919 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.745 0.307 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.45 81.77 8.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mt -105.3 -21.71 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 t -53.25 141.14 24.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -76.64 -32.96 58.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.659 HG11 HG11 ' A' ' 85' ' ' VAL . 8.2 t -65.64 142.43 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.24 161.43 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.21 23.2 13.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.9 t -73.39 116.94 14.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.759 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.2 p -88.32 -30.97 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.585 ' HB2' HG21 ' A' ' 78' ' ' VAL . . . -59.88 136.4 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.13 161.25 18.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.26 32.71 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -60.41 -30.86 69.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -130.72 77.77 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.61 154.84 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -101.39 175.04 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.23 -28.18 66.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -79.93 -23.24 41.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -109.57 46.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.915 0.388 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -124.88 -78.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -26.37 61.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -79.0 -27.27 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt 62.21 46.58 6.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.4 p -145.37 151.62 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.3 p -100.53 170.76 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.44 -35.78 81.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.678 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 23.6 t -58.1 -33.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.256 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -102.23 -28.8 12.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.976 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.2 -30.72 66.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -123.69 39.1 4.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 78' ' ' VAL . . . -89.91 -175.44 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 p -105.72 -32.84 8.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.6 p -169.87 123.49 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.659 HG11 HG11 ' A' ' 56' ' ' VAL . 5.7 t -114.66 157.52 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.05 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.439 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.4 OUTLIER -102.75 83.27 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 tp -93.34 117.62 30.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.2 t 59.77 33.32 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 68.59 28.1 73.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.547 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.46 165.52 24.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -91.87 115.96 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -137.79 156.26 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.412 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 0.7 OUTLIER -133.57 142.62 48.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.82 99.38 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.59 99.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -25.5 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -50.32 74.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 4.0 m -109.8 7.66 24.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.264 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.14 13.74 1.29 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.573 0.225 . . . . 0.0 111.575 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 98' ' ' CYS . 1.0 OUTLIER -101.08 -175.79 2.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.741 0.305 . . . . 0.0 110.945 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -111.72 102.37 10.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -103.45 151.29 22.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -63.2 159.71 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.15 -32.06 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -61.32 -24.35 66.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -80.04 -30.77 39.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 93' ' ' ARG . 2.6 m-85 -64.99 -38.77 92.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t70 59.93 163.96 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -73.4 -36.07 65.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.94 -48.78 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -86.61 169.03 13.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.3 40.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.69 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.39 -173.06 3.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -96.16 -45.87 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -58.22 124.45 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 75.05 -61.75 0.47 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -43.25 19.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.67 116.34 11.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.75 65.45 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -114.08 101.4 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.712 0.292 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -154.85 32.09 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -100.85 158.39 16.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -150.4 127.14 10.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.81 153.43 22.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.795 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -119.26 144.74 46.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.22 -178.39 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.5 p -143.11 -49.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.3 p -78.81 136.49 37.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -108.1 -55.18 0.6 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.921 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.848 0.356 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 91.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 63' ' ' MET . 62.6 mt -114.07 -33.5 5.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.29 141.4 46.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -83.39 -30.91 27.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 85' ' ' VAL . 6.8 t -61.22 145.8 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.069 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.06 161.68 16.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.36 17.8 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.3 t -81.99 132.72 35.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 t -127.37 24.24 6.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.05 165.26 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -95.82 143.14 27.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.462 ' HB3' HD12 ' A' ' 53' ' ' LEU . 1.8 mtp -139.77 34.49 1.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -66.68 -36.51 82.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -140.93 76.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.1 -174.04 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.29 161.34 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.37 -23.95 62.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -79.89 -35.51 37.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -85.49 -28.49 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -31.48 39.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -74.59 -37.84 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -86.41 -12.16 49.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.338 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 mttt 63.99 35.29 10.77 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.54 143.76 33.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.8 p -94.92 173.45 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.88 -36.06 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.7 t -56.69 -30.25 31.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.411 ' CD2' HG11 ' A' ' 56' ' ' VAL . 23.1 m80 -103.51 -27.82 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.72 -30.54 70.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.003 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -112.05 30.6 6.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.99 130.95 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 m -71.28 -31.48 67.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.7 p -158.59 100.56 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 56' ' ' VAL . 5.9 t -83.57 157.68 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 89' ' ' GLY . 0.6 OUTLIER -106.45 85.87 2.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.17 116.77 32.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m 59.54 32.06 21.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 86' ' ' PHE . . . 69.99 27.26 73.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tp -130.96 149.91 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -79.87 116.14 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -134.06 160.7 36.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.29 153.14 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -81.14 115.11 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 99' ' ' SER . 50.3 t -89.68 96.88 10.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -59.18 -25.11 63.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -49.4 77.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.176 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.0 m -108.81 -3.68 17.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.447 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 95' ' ' CYS . 3.1 t 71.17 -2.9 2.21 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -93.77 -174.03 3.33 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.951 0.405 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -113.98 123.19 49.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.728 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -119.1 163.11 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.61 162.8 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 tp -75.65 -28.57 58.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -21.36 47.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -79.84 -27.81 40.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -103.11 43.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -129.45 36.21 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.95 -157.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.542 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -91.07 38.34 0.96 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.833 0.349 . . . . 0.0 111.223 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -151.1 87.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.24 54.64 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.971 0.415 . . . . 0.0 110.987 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m 179.66 54.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.98 -174.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.974 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.23 -34.14 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 20.7 ttm180 -59.76 130.38 46.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 116' ' ' ARG . 1.1 mmm180 68.34 -63.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.29 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -43.7 17.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.94 115.4 11.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.69 142.46 0.63 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -74.22 176.72 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -68.49 -41.84 79.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -78.73 153.85 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.17 165.27 19.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.52 148.27 12.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.981 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -123.56 175.77 6.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 176.46 5.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.2 m 60.59 -178.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.794 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.58 162.05 21.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 169.04 -41.79 0.22 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.922 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_