data_2rql_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 2rql _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.342 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.45 155.63 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.72 153.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.214 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.42 118.72 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.133 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.02 123.97 8.05 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.95 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -102.14 116.94 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.568 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.5 t30 67.72 34.74 4.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.413 ' CG2' ' CE ' ' A' ' 70' ' ' MET . 11.6 p -152.25 135.99 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.76 118.12 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.857 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.0 mm -81.71 96.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.47 140.09 29.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.765 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -38.3 -36.31 0.22 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.069 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -47.54 65.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.0 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.11 -67.3 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.11 -38.17 11.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.38 -45.57 93.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CZ ' ' HE3' ' A' ' 23' ' ' LYS . 59.7 t80 -54.27 -46.85 72.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 t -61.58 -51.66 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.783 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -63.81 -31.34 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.587 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.14 89.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 23.8 mmtt -65.07 -53.03 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.45 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.428 ' CE1' HG11 ' A' ' 37' ' ' VAL . 4.4 m-85 -53.0 -44.64 67.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.553 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.98 -55.62 22.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.759 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -28.44 27.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.784 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 6.7 mp -80.39 -28.85 37.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.476 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.18 -14.02 22.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.492 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -72.01 -54.01 11.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.798 0.332 . . . . 0.0 111.013 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.447 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.1 p90 -93.55 -30.71 14.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.263 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -91.99 118.15 30.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.834 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -108.78 4.05 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.306 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -100.29 57.78 0.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 110.999 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.46 105.85 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -112.08 -54.84 2.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -125.37 116.27 21.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.675 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.428 HG11 ' CE1' ' A' ' 24' ' ' PHE . 3.2 t -126.12 134.08 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -128.11 125.08 38.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.578 179.257 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.2 t -124.0 144.25 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.31 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.42 134.37 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.194 0.521 . . . . 0.0 110.912 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.599 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.27 126.11 34.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.669 -179.014 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -102.43 138.42 39.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.325 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.4 t -119.67 109.61 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.41 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -128.82 152.51 48.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.611 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.03 -21.37 3.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.865 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.6 t -85.36 -84.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -129.48 153.78 47.64 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.917 0.389 . . . . 0.0 111.493 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -97.27 133.67 41.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.498 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.6 m -122.73 139.6 53.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 111.396 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.2 p -137.7 144.58 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.679 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -130.22 145.66 51.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.867 0.365 . . . . 0.0 111.085 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -132.54 140.73 48.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.453 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -140.66 106.79 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.057 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mp -101.46 145.74 28.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.008 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -107.64 140.12 41.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.1 t -136.06 152.85 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -59.95 104.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.032 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.09 -19.97 51.53 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.043 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.22 157.81 27.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.834 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -140.41 129.64 23.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 110.747 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mp -101.94 139.5 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.042 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.414 ' CD2' HG21 ' A' ' 53' ' ' THR . 17.4 t-160 -133.53 112.28 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.48 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.38 163.37 30.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.221 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.3 p -140.64 150.85 44.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.323 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.07 150.73 43.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.001 0.429 . . . . 0.0 111.587 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -119.7 151.08 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.7 160.13 28.63 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.711 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -59.16 -17.27 25.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.593 0.235 . . . . 0.0 111.509 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -153.63 169.65 22.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.744 0.307 . . . . 0.0 110.764 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.413 ' CE ' ' CG2' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -59.76 -19.81 52.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.413 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -85.92 -40.06 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.83 -42.26 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.81 -40.36 72.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.411 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.9 mm -73.33 -32.63 38.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.91 -56.1 20.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.96 -28.19 70.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.4 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.96 -43.96 67.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.7 mm -79.52 -15.45 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.68 -56.72 4.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -33.71 76.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.698 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -47.89 80.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.53 -57.93 10.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -49.02 -33.82 11.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.34 -40.85 67.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.514 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.465 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.7 OUTLIER -60.87 -41.91 96.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.735 179.704 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.06 -41.77 99.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.719 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -55.47 24.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.465 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.5 p-80 -70.93 -25.26 62.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.276 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -70.76 -20.39 62.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.203 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -144.25 164.37 30.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 pt -134.7 154.23 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 m -141.17 119.04 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.171 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.53 126.02 8.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.996 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -97.34 110.76 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.411 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.8 39.2 1.5 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.446 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.7 t -150.87 132.43 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -76.48 118.37 19.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -66.97 95.69 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 p -95.74 129.1 43.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.698 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -37.58 -34.12 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.21 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.32 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 111.323 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.81 -58.83 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -56.07 -42.77 77.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.51 -44.68 89.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -56.34 -44.63 80.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.1 t -64.05 -57.84 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.819 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -60.16 -29.41 68.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.771 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.56 86.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.022 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HB3' HG12 ' A' ' 78' ' ' ILE . 6.5 mmtt -67.48 -49.25 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.587 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.415 ' CE2' HG13 ' A' ' 37' ' ' VAL . 4.8 m-85 -49.69 -47.47 50.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.804 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.43 -54.32 28.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.064 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -27.09 55.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 10.8 mp -82.92 -25.04 32.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.657 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.06 -13.65 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.564 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -71.9 -47.48 52.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.719 0.295 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.1 p90 -102.35 2.7 37.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.811 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 15.4 m-30 -120.46 118.73 31.03 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.45 -27.73 9.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.914 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 70.68 3.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.016 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mt -141.48 123.1 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -128.55 -58.7 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.467 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.19 116.96 19.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 111.496 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.415 HG13 ' CE2' ' A' ' 24' ' ' PHE . 3.2 t -127.63 134.73 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -130.44 136.57 49.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.969 0.414 . . . . 0.0 111.105 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 t -129.84 143.88 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.071 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -141.73 135.08 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.586 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.18 129.74 42.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.732 -178.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -106.65 139.27 41.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.301 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.8 t -117.59 118.74 59.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.179 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -136.89 152.64 50.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.5 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -45.72 -27.69 0.87 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.504 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -89.31 -128.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.49 155.2 23.5 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-O 120.92 0.39 . . . . 0.0 111.347 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 9.2 m170 -94.75 150.64 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.315 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -134.05 119.8 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 0.0 111.606 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.68 141.83 51.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.568 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -124.75 152.09 44.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.136 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.3 110.43 5.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.029 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.445 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 3.1 m -110.06 111.11 22.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.104 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.4 mp -100.61 145.37 28.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -103.89 137.84 41.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 m -140.47 155.22 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -67.94 106.92 2.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.18 -20.73 9.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.585 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.46 -174.05 42.61 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -140.46 131.78 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.18 140.68 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -133.36 112.16 11.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.834 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.84 155.37 41.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.87 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 149.02 41.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.473 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.56 159.2 42.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 111.455 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -122.08 149.59 43.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.626 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.11 157.27 27.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.68 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -16.14 27.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.532 0.206 . . . . 0.0 111.533 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.418 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 1.2 p-10 -150.59 169.12 22.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.836 0.35 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -19.51 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.293 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -89.97 -39.3 13.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 110.816 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.12 -46.17 85.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.17 -34.4 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.4 mm -76.97 -30.45 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -54.96 19.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.762 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.41 -34.54 79.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.401 ' O ' HD21 ' A' ' 81' ' ' LEU . 65.9 tp -70.22 -43.06 71.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' A' ' 23' ' ' LYS . 2.8 tp -75.35 -17.24 15.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.347 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -78.5 -54.69 5.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -67.33 -28.91 68.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.759 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -66.75 -51.07 60.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.36 -56.2 24.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -52.63 -34.35 50.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.329 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -74.88 -45.14 44.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.967 0.413 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.454 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 2.8 mm? -57.97 -41.65 83.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.752 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.1 m -66.45 -40.01 89.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -52.04 -60.13 3.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.024 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 1.5 p-80 -68.29 -20.33 64.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -72.99 -21.69 60.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.201 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.069 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -119.51 122.49 41.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.0 mt -100.66 137.48 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.318 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 2.4 m -152.0 118.24 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.773 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 136.59 11.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.344 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -84.62 109.47 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.4 t30 70.53 45.22 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.265 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.2 t -151.17 134.79 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.41 125.18 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.7 mm -76.64 97.14 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 p -96.98 144.95 26.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.733 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 3.3 mp0 -33.14 -55.22 0.4 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.3 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.45 78.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.18 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.491 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -55.62 -67.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.978 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -40.11 74.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 2.7 tt0 -62.07 -52.71 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.505 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -57.83 -45.12 86.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.225 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 t -60.38 -49.48 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.023 0.439 . . . . 0.0 110.464 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -62.26 -30.02 70.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.292 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.12 -44.05 70.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.757 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HB3' HG12 ' A' ' 78' ' ' ILE . 17.7 mmtt -70.16 -55.0 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.58 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -48.67 -51.77 26.71 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.057 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.67 51.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.911 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -26.78 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.494 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 9.8 mp -82.04 -29.09 32.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.047 0.451 . . . . 0.0 110.689 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.92 -13.65 27.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.613 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.81 -57.99 4.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.716 0.293 . . . . 0.0 111.246 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.494 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -90.72 -11.76 38.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.808 -179.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.463 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 21.8 m-30 -106.13 119.53 39.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -107.92 -24.29 11.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -78.96 73.12 5.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.82 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.3 mt -143.04 123.48 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.0 -65.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -128.99 121.21 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.94 136.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -133.89 148.91 51.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 t -138.34 145.97 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 6' ' ' THR . 21.7 t -140.39 132.95 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.153 0.502 . . . . 0.0 111.131 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.587 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.75 127.65 37.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.057 -178.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -101.73 135.83 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.066 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.4 t -115.15 116.55 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 111.482 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -136.76 152.18 50.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.561 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -55.24 -19.63 8.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.809 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.7 t -84.69 -84.07 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 m -129.36 152.55 48.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.943 0.401 . . . . 0.0 111.416 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.428 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 4.7 m170 -96.29 133.39 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.396 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.3 m -127.03 138.75 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.939 0.4 . . . . 0.0 111.536 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.62 138.5 30.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -119.48 148.89 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.19 110.74 8.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 111.333 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.426 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -108.94 107.23 17.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.6 mp -98.33 144.68 27.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.902 0.382 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -105.52 138.64 41.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.985 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.414 HG21 ' CE1' ' A' ' 88' ' ' HIS . 21.7 t -131.58 156.33 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.035 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.71 102.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.24 -15.35 62.32 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.882 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.88 157.95 26.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.671 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -139.59 124.96 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.755 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.415 HD13 ' CE1' ' A' ' 88' ' ' HIS . 3.5 mt -102.52 140.62 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -133.47 111.95 11.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.718 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.2 158.31 40.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.96 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -140.9 151.18 44.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.44 166.48 26.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.035 0.445 . . . . 0.0 111.359 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -137.79 159.82 40.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.642 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -160.09 171.27 36.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.663 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -61.73 -12.74 18.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -154.12 176.13 12.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.683 0.277 . . . . 0.0 110.664 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.41 ' HE1' ' CB ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -59.27 -52.63 64.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.953 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -59.65 -39.12 83.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.6 -55.81 27.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.264 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.44 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.385 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 43.1 mm -77.88 -27.54 15.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -55.82 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.603 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.27 -33.18 81.8 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.437 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 tp -73.73 -45.9 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.407 HG12 ' HB3' ' A' ' 23' ' ' LYS . 1.1 tp -67.97 -19.39 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.286 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -80.23 -48.36 13.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.411 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -65.54 -36.11 82.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.724 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -51.89 59.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.58 4.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.868 0.366 . . . . 0.0 110.998 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -50.74 -32.49 19.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.3 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -74.95 -43.89 51.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.463 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . 3.0 mm? -61.69 -42.05 98.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -41.56 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -61.37 2.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.914 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.478 ' CD2' ' N ' ' A' ' 89' ' ' LYS . 2.6 p-80 -67.13 -41.05 86.78 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.478 ' N ' ' CD2' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -66.2 -17.51 64.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.629 0.252 . . . . 0.0 111.335 -179.573 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 120.922 0.391 . . . . 0.0 110.663 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.15 158.58 43.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.75 153.69 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -135.68 162.89 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.234 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.92 125.55 2.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.951 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.1 p30 -96.33 116.13 28.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 5.7 t-20 85.44 -43.21 0.06 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 11' ' ' GLU . 10.5 p -95.64 167.59 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' N ' ' CG2' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -110.36 148.7 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.995 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.9 mm -80.73 102.87 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.4 p -94.75 142.55 27.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -36.86 -40.81 0.29 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.16 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -48.02 72.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.047 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.2 tp -58.23 -60.18 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.661 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.2 ptt180 -52.4 -41.14 62.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.749 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.2 mm-40 -63.47 -52.45 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -52.8 -49.25 66.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.3 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.34 -44.66 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -71.21 -30.64 66.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.745 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.89 -44.74 82.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -72.12 -48.13 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.54 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -53.25 -46.37 69.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.631 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.41 71.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.766 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -28.24 67.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.468 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.498 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 9.3 mp -84.32 -25.14 29.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.66 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -65.95 -13.05 59.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.656 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -66.45 -49.76 65.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.714 0.292 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.498 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -101.64 2.51 38.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.859 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 22.0 m-30 -114.26 118.71 34.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.823 0.344 . . . . 0.0 111.007 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -108.52 -29.32 8.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.96 73.19 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.6 mt -144.3 116.66 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.07 -63.26 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.099 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.2 116.84 21.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.89 0.376 . . . . 0.0 111.26 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.4 t -124.86 133.05 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.11 137.19 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.992 0.425 . . . . 0.0 110.911 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 t -130.83 145.16 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.182 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.18 137.13 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.967 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.44 130.14 42.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.798 -179.027 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -101.38 133.93 45.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.359 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.83 116.33 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -136.48 152.69 50.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.569 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -52.7 -20.02 2.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.918 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.2 t -86.55 -85.96 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.7 m -128.9 154.76 46.2 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.88 0.371 . . . . 0.0 111.474 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -98.87 135.17 40.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.5 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.5 m -129.63 142.93 50.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.875 0.369 . . . . 0.0 111.466 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.8 m -141.35 146.61 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -128.26 143.52 51.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.698 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.01 110.35 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.973 0.416 . . . . 0.0 111.742 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 3.8 m -102.74 110.86 22.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.535 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.09 145.91 25.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.942 0.401 . . . . 0.0 111.197 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.427 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 6.7 m-70 -108.36 138.13 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.887 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -120.23 170.07 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -32.44 -54.18 0.33 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -141.51 41.36 1.24 Allowed Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.981 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.89 168.49 35.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.348 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.427 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 14.6 mt-10 -136.5 116.37 13.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.974 0.416 . . . . 0.0 111.402 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.7 mt -103.72 139.16 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.417 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -134.04 111.99 10.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.608 0.242 . . . . 0.0 110.981 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.48 157.58 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.805 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.0 m -141.02 148.87 40.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.241 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.46 156.64 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 111.877 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.12 160.15 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.054 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.95 -67.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.205 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 179.73 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -140.65 176.68 8.59 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.779 0.323 . . . . 0.0 110.401 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.0 tpp -62.67 -23.12 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.418 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -90.95 -32.81 15.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.87 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.029 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -31.2 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.0 mm -79.55 -24.49 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -52.82 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.733 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.92 -33.81 70.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.285 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.3 tp -68.75 -40.63 79.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.409 . . . . 0.0 110.652 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.2 mm -80.64 -13.71 12.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.114 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.21 -54.73 5.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.97 0.414 . . . . 0.0 110.491 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -68.06 -34.92 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.64 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -64.39 -48.56 74.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.928 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.82 -55.31 36.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -53.69 -32.73 52.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.401 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -76.85 -48.72 17.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.442 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 2.8 mm? -58.04 -42.78 86.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.838 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.7 m -66.37 -39.58 89.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -61.17 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 1.7 p-80 -66.85 -26.68 67.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.188 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -19.91 63.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.284 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 111.0 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.54 167.84 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.428 HG22 HD11 ' A' ' 5' ' ' ILE . 2.6 mt -126.55 153.61 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -129.71 118.91 22.62 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.58 123.76 8.01 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.123 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -114.94 109.46 18.16 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 70.52 30.28 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.362 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.64 135.64 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.832 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.04 119.54 23.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.153 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.98 99.28 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.678 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -97.71 146.2 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -38.36 -33.48 0.1 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.991 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.28 -48.41 34.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -57.96 -66.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -38.61 23.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -62.81 -43.22 99.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -55.71 -47.11 77.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.2 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -61.39 -48.43 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -68.16 -32.42 72.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.29 -43.45 78.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -70.21 -51.74 28.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.424 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.8 m-85 -52.25 -45.58 65.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.579 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.35 69.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.716 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -27.96 58.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 8.5 mp -82.29 -27.91 32.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.88 -13.08 42.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.597 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.76 -56.32 8.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.765 0.317 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.47 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -89.41 -24.66 21.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.299 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.447 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 21.2 m-30 -92.89 127.1 38.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.729 0.3 . . . . 0.0 110.582 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -105.3 -31.5 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.012 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.28 66.53 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.971 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.7 mt -138.15 109.79 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -123.57 -58.94 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.57 116.68 20.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.981 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.424 HG11 ' CE1' ' A' ' 24' ' ' PHE . 22.1 t -130.95 135.56 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 0.4 OUTLIER -129.29 132.91 47.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.067 0.46 . . . . 0.0 110.936 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.4 t -123.16 144.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.296 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 t -141.54 131.95 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.011 0.434 . . . . 0.0 110.825 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.601 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.2 128.41 39.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.977 -178.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -103.9 138.56 40.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.202 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.417 HG11 ' CE1' ' A' ' 48' ' ' HIS . 25.6 t -119.89 114.32 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -132.89 152.72 51.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.459 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -51.53 -20.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.001 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.72 -85.23 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.2 m -129.09 154.22 46.89 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 111.42 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.417 ' CE1' HG11 ' A' ' 43' ' ' VAL . 6.1 m-70 -99.38 136.62 39.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.612 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.4 m -127.19 136.14 51.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.251 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -137.62 148.4 45.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -132.62 158.4 42.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.08 110.89 3.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.036 0.446 . . . . 0.0 111.615 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.446 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.8 m -103.82 109.14 20.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.752 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.7 mp -95.71 143.99 26.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.949 0.404 . . . . 0.0 110.975 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -101.72 136.06 42.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -135.35 146.36 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -59.32 105.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.769 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.73 -21.39 42.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.138 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.65 163.96 30.14 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.909 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -137.61 127.98 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.723 0.297 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mt -102.37 138.91 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -133.18 112.22 11.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.652 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.77 156.89 38.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.698 0.285 . . . . 0.0 111.248 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.78 147.07 38.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.319 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.53 164.57 30.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 111.394 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.7 162.17 36.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.533 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.01 174.67 39.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.73 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -16.93 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -153.41 174.32 14.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 110.6 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -53.33 58.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.451 ' CE1' ' CD2' ' A' ' 16' ' ' LEU . 58.4 m-85 -58.24 -40.01 80.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.82 -53.47 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.88 -34.54 55.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.311 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.49 -29.81 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -68.62 -53.47 22.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.787 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.29 -31.72 68.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.398 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.494 ' HA ' HD21 ' A' ' 77' ' ' LEU . 3.2 tm? -69.19 -41.54 77.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.471 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.0 mm -79.99 -14.81 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.83 -55.95 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 110.62 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -32.47 73.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.708 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.433 HD21 ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -63.84 -48.28 77.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.814 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -55.87 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -52.7 -33.91 49.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.299 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -45.68 39.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.77 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.471 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.6 OUTLIER -59.59 -41.0 89.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.84 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.444 ' HA ' ' CG ' ' A' ' 89' ' ' LYS . 0.6 OUTLIER -66.54 -40.53 89.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -54.82 42.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.828 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.9 p-80 -72.37 -42.17 65.57 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.455 ' N ' ' CD2' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -63.38 -17.31 62.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.508 -179.494 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.789 0.328 . . . . 0.0 111.022 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.46 0.057 0 CA-C-O 120.793 0.33 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -121.93 128.27 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.739 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.1 mt -102.0 137.62 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.468 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 2.8 m -151.85 118.31 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.753 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.0 136.73 10.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.17 -1.014 . . . . 0.0 113.489 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -84.45 109.73 18.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 t30 71.57 44.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.073 0.463 . . . . 0.0 110.191 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.6 t -151.57 135.61 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.74 126.01 36.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -79.33 98.41 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.8 p -103.46 153.87 20.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -33.01 -53.99 0.37 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.256 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.24 82.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -55.27 36.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.3 ptp180 -61.39 -42.46 98.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 3.8 mm-40 -61.93 -55.52 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -45.77 -53.77 9.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.828 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 t -61.48 -53.09 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.264 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.8 m -60.03 -31.09 69.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.18 89.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -67.26 -55.23 14.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.83 -47.94 60.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.04 47.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.0 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -28.47 41.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.459 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 7.9 mp -81.32 -29.74 34.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.34 -14.64 41.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.635 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.14 -59.48 2.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.342 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.1 p90 -87.63 2.39 51.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.94 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 15.3 m-30 -116.13 118.29 32.44 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.656 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.81 4.12 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.556 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.33 62.18 0.63 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 111.092 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mt -128.97 123.64 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -121.99 -62.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.104 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -128.87 118.25 22.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.84 136.27 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -134.23 148.9 50.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.997 0.427 . . . . 0.0 111.076 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.9 t -136.33 145.75 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.15 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 6' ' ' THR . 20.6 t -142.67 131.35 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 111.144 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.593 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.64 129.16 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.979 -178.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -100.83 137.96 38.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.097 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.5 110.31 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.473 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -130.27 152.33 49.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.425 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -20.73 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.819 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -84.5 -84.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.7 m -129.49 152.6 48.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.865 0.364 . . . . 0.0 111.447 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -97.23 132.05 43.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.241 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.4 m -125.68 139.57 53.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.571 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.9 m -140.36 139.39 35.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.766 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -119.1 145.63 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.04 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.52 110.99 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.321 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.438 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 4.5 m -110.66 106.11 15.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.704 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 54' ' ' LEU . 6.1 mp -100.02 145.7 27.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -94.35 125.02 38.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.65 168.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.777 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -47.06 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.192 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.47 29.19 9.3 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.508 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -165.43 174.87 41.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -140.31 130.31 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -102.14 137.95 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.0 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -133.52 112.3 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.18 159.89 33.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.823 0.344 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 m -140.61 120.23 13.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.329 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -111.9 143.53 42.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.013 0.435 . . . . 0.0 111.441 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.23 149.23 30.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.565 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.48 159.05 27.96 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.705 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.51 -16.11 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.533 0.206 . . . . 0.0 111.46 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.61 167.73 26.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.745 0.307 . . . . 0.0 110.816 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -19.79 53.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.212 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -86.8 -38.23 17.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.758 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.87 94.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.29 -38.26 65.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.315 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.9 mm -73.93 -35.11 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -56.75 17.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.693 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.48 -26.82 73.55 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.288 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.47 -44.65 70.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.066 0.46 . . . . 0.0 110.843 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mm -80.15 -14.64 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.109 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.9 -58.25 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.314 . . . . 0.0 110.434 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -32.86 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.737 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -47.79 81.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.816 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.85 -57.64 11.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -50.2 -33.62 19.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -75.63 -44.88 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.608 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.435 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -58.84 -44.48 90.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.772 179.759 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.9 m -63.09 -41.42 99.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -52.21 -54.14 34.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.3 p-80 -73.93 -16.82 61.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.304 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -24.83 58.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.323 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.289 -179.814 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -142.21 159.95 41.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.88 154.07 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.6 m -139.2 118.57 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.852 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.39 130.34 10.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.976 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 8' ' ' ASN . 3.0 p30 -107.89 109.96 21.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 110.519 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.8 t30 72.21 34.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.667 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.407 ' CG2' ' CE ' ' A' ' 70' ' ' MET . 10.8 p -152.03 135.62 8.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.936 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.28 119.58 17.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 mm -82.5 93.84 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -98.14 145.56 26.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -36.95 -43.69 0.47 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.32 -45.12 76.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.987 0.422 . . . . 0.0 111.067 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 10.4 tp -55.83 -67.77 0.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.915 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -52.1 -39.52 59.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.745 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -64.01 -55.21 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.452 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -59.44 -45.9 90.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.334 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.5 t -63.52 -51.88 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.8 m -62.83 -38.21 89.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.402 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.89 -40.09 63.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -67.37 -54.19 22.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.31 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.423 ' CZ ' HG13 ' A' ' 37' ' ' VAL . 3.3 m-85 -52.19 -44.17 64.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.499 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.03 -52.63 62.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.707 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.71 -28.09 20.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.745 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 6.7 mp -81.81 -29.83 32.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.41 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.12 -13.99 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.524 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -72.05 -53.6 12.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.2 p90 -93.52 -24.23 18.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.398 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 21.3 m-30 -101.21 118.79 37.68 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.678 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.22 -1.38 20.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.391 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -90.45 50.74 1.88 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.0 113.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -113.32 -56.12 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -126.32 116.76 21.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.423 HG13 ' CZ ' ' A' ' 24' ' ' PHE . 18.9 t -122.05 134.08 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.4 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -128.9 125.66 38.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 t -122.3 146.76 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.525 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -141.81 134.27 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.21 0.529 . . . . 0.0 110.793 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.32 129.37 41.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.801 -178.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -108.27 137.12 46.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.415 HG13 ' CE1' ' A' ' 48' ' ' HIS . 21.9 t -117.65 116.92 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.242 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -136.63 152.97 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.676 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -53.64 -17.4 2.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.13 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -85.53 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.0 m -128.9 153.73 47.21 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.864 0.364 . . . . 0.0 111.45 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.415 ' CE1' HG13 ' A' ' 43' ' ' VAL . 12.3 m-70 -95.82 140.19 30.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 m -128.1 131.69 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 111.48 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -134.17 143.16 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.571 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -133.4 149.77 51.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.803 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.48 110.96 4.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.04 0.448 . . . . 0.0 111.689 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.461 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.9 m -103.18 111.89 24.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.719 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.1 145.91 27.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 111.211 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.419 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 14.2 m-70 -105.2 135.91 45.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.779 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.7 m -140.86 117.49 7.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.251 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m120 39.77 -94.89 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.824 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.47 33.11 4.43 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.7 158.44 27.06 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.213 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 1.9 mp0 -137.93 118.93 14.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 0.0 111.213 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 mp -102.22 141.86 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.507 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.401 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 13.7 t-160 -132.73 112.16 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.701 0.286 . . . . 0.0 111.112 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.48 148.9 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.834 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.4 m -141.53 126.98 18.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.472 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -121.92 164.96 16.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.995 0.426 . . . . 0.0 111.409 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.18 148.57 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.395 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.77 156.77 27.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.688 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -56.76 -17.34 8.76 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.99 173.17 14.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.817 0.341 . . . . 0.0 110.827 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.409 ' CE ' ' CD2' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -63.88 -17.86 63.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.453 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -90.31 -38.16 13.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.933 0.397 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.05 79.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.87 -33.77 62.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.2 mm -79.69 -29.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -65.25 -54.76 24.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.556 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.11 -35.34 83.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.571 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.416 ' O ' HD21 ' A' ' 81' ' ' LEU . 2.1 tm? -69.55 -41.93 75.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 110.743 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.7 mm -75.33 -17.31 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.108 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -78.17 -53.51 7.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.33 . . . . 0.0 110.719 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -68.61 -31.21 70.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.416 HD21 ' O ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -64.89 -48.82 72.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.509 179.616 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.06 -56.87 15.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.75 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -51.31 -32.03 23.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -72.45 -39.46 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.531 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 1.7 mp -60.84 -40.71 93.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.627 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -39.28 91.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -61.41 2.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.234 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.2 p-80 -69.43 -20.1 63.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.442 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -18.9 44.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.319 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.031 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.62 156.92 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.7 mt -120.6 151.23 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 m -151.68 118.61 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.53 139.28 15.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.246 -0.978 . . . . 0.0 113.518 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 8' ' ' ASN . 1.2 p30 -98.6 109.59 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 110.257 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.0 t30 72.62 38.13 0.81 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -152.01 136.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.94 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -86.97 125.79 34.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 111.202 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.0 mm -89.3 101.25 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -99.91 150.22 22.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -34.51 -44.38 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.65 73.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.89 -56.0 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -58.91 -43.63 91.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -60.74 -46.94 88.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 71' ' ' TYR . 29.3 t80 -51.65 -48.17 63.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.39 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 t -62.41 -52.99 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.1 m -63.34 -29.73 70.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.044 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -46.02 91.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.178 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -66.39 -52.47 46.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.668 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.42 ' CE1' HG12 ' A' ' 37' ' ' VAL . 2.6 m-85 -51.26 -44.75 61.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.59 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.14 -55.25 25.59 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.908 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.92 -28.09 21.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 6.4 mp -80.52 -28.47 37.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.061 0.457 . . . . 0.0 110.58 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -14.01 25.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.467 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -72.19 -55.1 7.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.445 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.1 p90 -91.9 -26.41 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.396 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -98.85 118.6 35.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.932 0.396 . . . . 0.0 110.697 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -108.43 -12.49 15.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.305 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -81.9 58.52 3.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.917 0.389 . . . . 0.0 111.079 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.7 mp -140.88 115.42 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.006 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -117.25 -56.42 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.741 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.27 116.52 21.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.42 HG12 ' CE1' ' A' ' 24' ' ' PHE . 4.6 t -125.54 134.77 65.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -129.96 129.82 44.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 179.514 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.45 147.19 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.439 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.55 130.49 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.208 0.528 . . . . 0.0 110.671 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.611 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.41 129.7 41.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.747 -178.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -105.29 131.58 52.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.29 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -114.64 114.17 45.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.419 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -135.9 152.45 51.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.567 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -54.51 -19.77 6.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.824 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -83.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -129.09 151.76 49.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.947 0.403 . . . . 0.0 111.465 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.422 ' CG ' ' HA ' ' A' ' 69' ' ' ASP . 22.9 m-70 -99.93 133.45 44.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.258 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.8 m -128.99 140.15 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.105 0.478 . . . . 0.0 111.829 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.3 p -134.81 144.45 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.492 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -136.0 150.93 49.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.94 116.04 6.06 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.257 0.551 . . . . 0.0 111.736 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.489 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 10.6 m -102.25 111.34 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.444 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.03 146.12 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.032 0.444 . . . . 0.0 111.36 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.418 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 18.7 m-70 -105.97 136.9 44.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.753 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.2 p -140.81 117.45 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.399 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 39.65 -95.07 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.945 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -119.12 33.43 4.72 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.655 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.99 161.4 28.57 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.187 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 3.5 mt-10 -140.12 122.8 16.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mt -102.04 141.36 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -133.35 111.86 11.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.76 155.19 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.651 0.262 . . . . 0.0 111.158 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.7 p -141.17 118.06 11.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.355 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.412 ' CB ' HD22 ' A' ' 77' ' ' LEU . . . -115.32 157.56 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 111.562 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -136.3 160.85 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.485 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.25 -107.55 0.49 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.384 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -131.62 -16.83 2.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.641 0.258 . . . . 0.0 111.145 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.422 ' HA ' ' CG ' ' A' ' 48' ' ' HIS . 5.9 p-10 -157.85 176.95 11.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.301 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -57.54 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.688 0.28 . . . . 0.0 111.175 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CZ ' ' CG ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -53.88 -43.3 69.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.423 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.83 -48.51 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.337 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.25 -32.75 38.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.57 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.5 mm -71.4 -50.55 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.46 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -51.18 -53.74 32.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.583 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.97 -46.46 94.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.801 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 65' ' ' ALA . 1.7 tm? -62.14 -41.41 98.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.742 0.306 . . . . 0.0 111.296 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.1 mm -69.5 -19.71 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 111.145 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -76.7 -54.3 6.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 0.0 110.534 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -62.98 -40.35 97.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.785 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.45 -47.85 83.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.98 -63.1 1.26 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.876 0.369 . . . . 0.0 111.015 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 mmm-85 -49.61 -30.71 9.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -73.01 -39.42 66.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.644 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.475 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.7 OUTLIER -60.69 -42.51 97.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.796 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.0 m -65.32 -39.07 91.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.721 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -54.66 -61.87 2.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.286 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.2 p-80 -67.68 -24.86 65.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.407 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -75.78 -15.56 60.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.251 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 111.04 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -132.09 138.34 48.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.69 153.01 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.26 118.95 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.056 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.97 123.99 8.08 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.993 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.475 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 10.5 p30 -107.04 111.62 24.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.427 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.4 t30 65.21 37.63 6.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.673 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.3 p -151.46 133.83 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.87 116.71 13.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.0 mm -80.31 94.04 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.78 141.89 28.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.713 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.06 -38.3 0.32 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.091 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -46.64 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 tp -56.84 -68.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 5.7 ptt-85 -47.47 -38.05 12.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.1 mt-10 -61.17 -47.49 85.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -54.55 -46.78 73.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 t -62.14 -52.82 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -63.25 -31.3 72.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.62 91.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -65.61 -54.03 33.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.592 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -51.8 -44.37 63.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.701 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.32 -54.65 33.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -54.03 -28.19 36.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 8.9 mp -82.57 -27.92 31.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.643 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -13.78 46.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.623 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -68.46 -58.28 4.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.863 0.364 . . . . 0.0 110.961 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 1.3 p90 -86.57 -12.41 48.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.494 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.445 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 18.2 m-30 -103.72 119.94 39.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.703 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -107.67 -27.3 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.44 65.89 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.6 mt -138.89 123.22 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.7 -57.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.162 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -129.03 117.1 20.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.913 0.387 . . . . 0.0 111.004 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.66 136.08 61.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.78 137.69 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.981 0.42 . . . . 0.0 110.983 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 t -135.96 146.16 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.096 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.84 137.12 24.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.166 0.508 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.555 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.37 130.98 43.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.901 -179.087 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.475 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 8.5 ttpt -102.79 134.81 45.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.107 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.1 t -115.39 116.39 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.608 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.79 152.27 50.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.511 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.05 -21.11 4.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.813 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.1 t -84.63 -84.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -129.53 154.26 47.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.036 0.446 . . . . 0.0 111.398 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 69' ' ' ASP . 7.5 m-70 -101.88 134.09 45.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.32 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.7 m -129.2 142.13 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.03 0.443 . . . . 0.0 111.614 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -137.86 145.14 41.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.784 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -122.98 147.27 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.08 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -132.81 141.03 48.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.255 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.444 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -140.47 105.99 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.956 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.37 143.66 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 111.048 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -104.09 138.05 41.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.6 t -135.74 153.13 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.68 106.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.67 -22.21 40.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.918 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.89 163.13 29.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.738 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -140.4 132.0 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.66 0.267 . . . . 0.0 110.828 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.413 HD12 ' CE1' ' A' ' 88' ' ' HIS . 1.6 mp -101.49 137.69 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.09 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.424 ' CG ' HG21 ' A' ' 53' ' ' THR . 5.6 t-160 -133.89 112.06 10.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.497 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -140.81 166.14 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.252 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 m -140.64 150.32 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.157 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.74 154.53 45.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.101 0.477 . . . . 0.0 111.635 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -138.24 162.6 33.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.429 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.82 -99.74 0.23 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.606 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -139.69 -21.7 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.432 ' HA ' ' CG ' ' A' ' 48' ' ' HIS . 3.7 p-10 -153.63 176.59 11.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.712 0.291 . . . . 0.0 110.596 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -23.3 53.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.498 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -85.19 -41.53 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.024 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.48 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.43 73.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.1 mm -75.66 -31.29 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.776 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -55.15 29.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.701 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.46 -29.07 71.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.364 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.4 tp -68.03 -42.97 79.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.625 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.8 mm -79.95 -15.7 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.106 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.58 -59.03 2.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -35.95 82.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -49.68 76.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.752 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.6 -58.78 6.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.051 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -49.7 -32.21 12.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.77 -45.87 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.445 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . 3.0 mm? -59.1 -43.99 91.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.95 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.408 HG23 ' CZ ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -67.03 -41.47 86.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.287 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -53.03 -64.61 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.451 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 5.5 p-80 -62.04 -42.59 99.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.074 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 88' ' ' HIS . 0.8 OUTLIER -58.86 -20.31 49.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.279 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.868 0.366 . . . . 0.0 110.816 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.691 0.281 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -145.31 164.96 29.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.98 153.73 39.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.45 119.01 18.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.307 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.74 120.14 6.74 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.968 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -104.44 111.71 24.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 0.0 110.433 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 68.39 33.42 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.53 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.6 p -151.35 134.33 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.15 116.9 18.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.3 mm -72.83 94.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -91.46 134.63 34.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.621 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -37.34 -35.53 0.12 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.071 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -47.21 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.172 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -57.19 14.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 2.3 ptm180 -55.84 -42.38 75.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 1.2 mm-40 -58.53 -45.01 89.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -57.43 -44.71 84.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.1 t -61.56 -53.13 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 m -63.03 -30.32 71.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.98 86.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -67.42 -51.05 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.441 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.7 m-85 -51.93 -46.59 64.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.37 -51.98 55.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.622 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.13 -29.13 43.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 8.1 mp -78.61 -32.24 47.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.457 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -14.94 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.636 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -72.71 -53.0 12.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.733 0.302 . . . . 0.0 110.967 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.9 p90 -95.46 -23.96 16.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.412 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.441 ' CE1' ' HB3' ' A' ' 85' ' ' LEU . 12.0 m-85 -99.14 118.86 36.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.74 -27.74 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -70.48 66.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.1 mt -139.46 111.88 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.95 -58.91 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.84 116.53 21.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.837 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.441 HG11 ' CE1' ' A' ' 24' ' ' PHE . 11.6 t -127.37 134.47 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.63 132.87 46.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.704 179.457 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.2 t -127.26 145.22 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.371 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.6 t -142.82 136.13 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.29 128.77 40.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.704 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -106.58 141.04 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.516 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.403 HG11 ' CE1' ' A' ' 48' ' ' HIS . 22.8 t -120.17 113.66 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.366 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -132.72 152.74 51.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.561 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -20.37 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.157 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.2 t -88.24 -84.8 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.1 t -130.09 154.08 47.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.976 0.417 . . . . 0.0 111.582 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.425 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 10.6 m170 -94.71 138.1 32.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.231 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.1 m -126.87 130.67 50.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.937 0.399 . . . . 0.0 111.566 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.0 p -130.08 145.32 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.458 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -127.98 143.04 51.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.18 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.403 ' CB ' ' CD1' ' A' ' 77' ' ' LEU . . . -135.22 110.82 9.2 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.447 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -112.07 108.2 17.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.112 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.21 145.44 27.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -101.0 133.49 45.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.94 154.56 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -69.09 103.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.16 -20.38 30.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.666 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.49 170.93 36.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.606 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -140.56 134.95 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.648 0.261 . . . . 0.0 110.598 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.414 HD13 ' CE1' ' A' ' 88' ' ' HIS . 3.0 mp -101.83 136.66 32.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 111.2 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.41 ' CG ' HG22 ' A' ' 53' ' ' THR . 3.8 t-160 -133.57 112.56 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.507 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -137.43 164.12 29.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.876 0.37 . . . . 0.0 111.322 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.7 p -140.61 153.17 45.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.404 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.69 134.02 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 111.488 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -104.95 155.44 18.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.585 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.68 167.16 33.57 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.664 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -61.96 -14.76 38.05 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.703 0.261 . . . . 0.0 111.703 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.425 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 0.9 OUTLIER -156.84 176.01 13.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -17.13 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.33 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -87.6 -40.31 14.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.829 0.347 . . . . 0.0 110.804 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.34 92.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.22 -39.64 66.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.0 mm -72.6 -32.52 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.898 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -56.45 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.09 -22.09 78.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.247 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.403 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 13.3 tp -73.94 -45.65 49.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.701 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.8 mm -79.06 -15.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.09 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.83 -57.22 3.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 110.536 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -65.64 -33.32 75.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -47.54 76.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.019 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.68 -56.52 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 111.001 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -51.06 -35.87 36.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.357 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -74.01 -44.48 54.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 110.38 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.457 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.2 OUTLIER -57.79 -43.04 85.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.485 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.24 99.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.744 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -51.11 -53.45 34.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.77 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.457 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.5 p-80 -75.45 -20.92 58.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -26.03 67.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.07 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -139.51 154.6 47.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.443 HG21 HD11 ' A' ' 5' ' ' ILE . 19.3 mt -117.82 149.43 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.308 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 3.0 m -151.72 118.28 5.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.736 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.43 136.59 12.95 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.511 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -90.53 109.34 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 70.51 41.61 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 t -151.22 134.54 7.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -88.74 124.27 33.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.966 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -71.77 109.95 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.8 p -114.09 144.93 42.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -33.25 -51.95 0.35 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.33 85.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -56.03 -53.68 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.851 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -67.46 -41.48 84.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.788 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.58 -55.86 23.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.456 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -51.2 -48.78 61.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.088 -179.346 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.446 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 24.6 t -60.65 -52.57 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.21 0.529 . . . . 0.0 110.364 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -59.85 -23.59 63.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.619 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.69 77.96 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.792 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -72.55 -43.15 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.945 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.67 -13.44 32.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.101 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.26 -54.36 5.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.949 0.404 . . . . 0.0 110.32 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -68.0 -15.98 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.942 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.6 mp -87.58 -37.14 17.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.526 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.28 -15.72 17.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.35 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -55.92 8.58 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.597 0.237 . . . . 0.0 111.16 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.4 p90 -90.22 -23.37 21.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.507 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 18.5 m-30 -93.47 118.79 31.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.806 0.336 . . . . 0.0 110.649 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.08 -31.69 9.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.72 69.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.9 mt -141.08 111.16 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -120.99 -56.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.722 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -127.5 116.55 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.769 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 t -124.24 135.8 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.54 129.8 41.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.095 0.474 . . . . 0.0 110.948 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.7 t -119.27 146.92 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.032 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 6' ' ' THR . 21.4 t -144.54 131.13 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-O 121.301 0.572 . . . . 0.0 111.082 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.607 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.51 129.29 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.67 -178.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -107.1 138.27 43.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.326 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.9 t -117.65 117.66 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.255 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -136.69 152.73 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.655 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -17.59 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.947 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -84.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 m -129.1 152.72 48.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 111.577 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -94.52 137.61 33.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.353 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.4 m -130.94 134.67 46.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.056 0.455 . . . . 0.0 111.719 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -134.22 147.64 50.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.547 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -136.48 145.25 44.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.17 111.22 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.988 0.423 . . . . 0.0 111.42 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.468 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 4.4 m -105.01 112.04 25.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.51 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mp -99.8 145.73 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.928 0.394 . . . . 0.0 111.287 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -94.25 129.09 41.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.55 166.29 3.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -46.63 -71.06 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.09 30.46 8.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.246 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.73 177.34 42.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.377 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.59 128.41 21.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.73 0.3 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.3 mt -102.09 141.7 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.407 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 5.8 t-160 -133.61 112.48 11.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.828 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.32 149.15 42.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.2 p -142.27 126.34 17.35 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.88 168.6 19.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.307 0.575 . . . . 0.0 112.331 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.2 167.18 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.864 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -154.36 -64.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.183 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -178.04 -20.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -145.99 176.55 9.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.76 0.314 . . . . 0.0 110.522 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -21.55 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.316 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -90.41 -37.75 13.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.205 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.69 78.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.442 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.49 -36.7 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.433 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.5 mm -77.89 -27.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -56.69 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.49 -34.06 86.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.412 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.405 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 23.5 tp -73.06 -48.75 33.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.083 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.6 tp -65.25 -19.33 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.291 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.63 -47.67 16.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.024 0.44 . . . . 0.0 110.014 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -64.87 -32.68 74.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.639 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.405 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -66.37 -50.93 61.86 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.222 179.8 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.27 -58.73 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -32.3 50.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.45 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -75.65 -46.74 29.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.082 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 3.4 mm? -57.0 -44.17 82.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -67.83 -39.47 83.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.776 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -54.56 -63.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 3.3 p-80 -67.88 -17.17 64.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -80.36 -16.28 54.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.025 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.0 110.487 179.578 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.692 0.282 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -142.26 159.44 42.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.977 0.417 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.5 154.1 39.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.748 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -134.88 118.89 17.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.229 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.03 123.35 7.85 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.784 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.479 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 8.5 p30 -100.71 110.31 22.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.609 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 65.56 39.29 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.688 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.09 133.94 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.07 114.86 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mm -76.07 94.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p -92.52 137.49 32.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.676 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.73 -32.55 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.959 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.89 -48.08 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -62.5 1.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.4 -40.55 59.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -61.61 -42.86 99.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -54.68 -46.43 74.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.66 -48.92 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -66.69 -30.13 70.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.684 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.65 89.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -66.36 -51.51 56.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.531 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CZ ' HG13 ' A' ' 37' ' ' VAL . 2.9 m-85 -53.23 -45.06 68.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.62 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.97 -53.41 50.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -28.52 51.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.722 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 5.4 mp -81.94 -27.57 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.571 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.96 -13.92 40.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.658 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -68.91 -56.38 8.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 1.4 p90 -88.97 -21.49 23.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.423 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.423 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 19.3 m-30 -97.63 118.95 35.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 110.656 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -106.13 -26.28 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.028 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -75.4 64.38 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.3 mt -139.15 117.21 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -118.85 -58.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.06 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.49 117.07 21.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 111.035 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.426 HG13 ' CZ ' ' A' ' 24' ' ' PHE . 5.9 t -121.89 134.1 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.0 135.53 47.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 110.78 179.425 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.32 146.74 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.252 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -146.62 130.31 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.77 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.573 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.54 132.99 44.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.807 -178.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.479 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 28.4 ttpt -103.08 137.62 41.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.201 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.84 117.16 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.257 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -136.74 152.51 50.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.484 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -53.34 -20.02 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.863 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -85.91 -84.57 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -129.56 154.22 47.27 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.951 0.405 . . . . 0.0 111.482 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -99.27 135.43 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.378 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.0 m -130.57 140.17 50.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.014 0.435 . . . . 0.0 111.494 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t -139.48 147.42 41.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.914 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -126.93 147.3 50.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.688 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.28 110.28 5.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.447 . . . . 0.0 111.633 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.466 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 36.4 m -108.57 111.42 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.806 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.4 145.63 27.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.282 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -99.45 135.83 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 t -133.28 150.81 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -64.73 103.84 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.671 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.4 -19.63 39.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.88 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.2 168.92 34.72 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.765 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.91 130.88 26.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 0.0 110.704 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.47 140.05 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.251 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -133.24 112.19 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.575 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.81 153.63 46.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.345 . . . . 0.0 111.349 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 81.3 p -142.05 126.44 17.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.59 169.24 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.123 0.487 . . . . 0.0 112.161 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.96 163.17 33.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.225 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.35 -69.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.1 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -178.73 -21.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.47 176.49 9.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.827 0.346 . . . . 0.0 110.738 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -21.84 65.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.338 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -90.96 -37.89 13.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.078 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.7 -48.61 76.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.265 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.51 -32.15 38.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.319 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.5 mm -79.35 -30.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -57.06 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.076 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.22 -37.88 91.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.552 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 17.8 tp -67.8 -47.43 69.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.357 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.53 -15.02 18.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -52.95 9.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.003 0.43 . . . . 0.0 110.165 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -61.78 -38.45 88.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.849 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.425 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -60.8 -45.16 95.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.27 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.8 -62.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -51.79 -33.89 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.748 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -75.15 -44.22 48.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 111.068 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -59.61 -42.17 92.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.03 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -40.14 85.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -53.7 -64.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.296 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.443 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 3.1 p-80 -62.44 -30.27 71.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.417 ' HD2' ' CD1' ' A' ' 31' ' ' PHE . 13.5 mttp -69.69 -17.72 63.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.343 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.855 0.359 . . . . 0.0 110.619 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.69 0.281 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -137.41 149.55 47.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.421 HG23 HD11 ' A' ' 5' ' ' ILE . 17.2 mt -119.35 151.29 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.058 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.5 m -118.36 119.24 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.9 109.81 3.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.619 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.411 ' N ' ' ND2' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -116.94 109.27 16.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.741 0.305 . . . . 0.0 110.473 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.4 t30 58.81 31.05 20.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.641 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.4 ' CG2' ' CE ' ' A' ' 70' ' ' MET . 9.2 p -151.6 135.75 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -83.64 115.67 22.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.2 mm -70.11 109.43 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 p -104.69 137.34 42.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -34.79 -43.8 0.19 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.239 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.29 -47.58 83.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -64.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -52.98 -43.83 66.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -56.84 -46.03 81.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -57.4 -44.54 84.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.7 -58.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -59.17 -30.23 68.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.78 87.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -69.86 -49.0 56.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.683 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -51.74 -49.76 61.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.04 -51.22 62.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -29.72 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.961 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 4.8 mp -77.12 -31.29 55.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 110.564 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -14.38 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.413 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -72.05 -58.4 3.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.695 0.283 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.3 p90 -86.93 -22.99 25.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.462 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.456 ' CE2' ' CB ' ' A' ' 85' ' ' LEU . 20.9 m-30 -98.93 118.9 36.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.358 . . . . 0.0 110.659 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.21 4.21 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.485 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -106.92 65.75 0.67 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.935 0.398 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.5 mt -138.94 108.42 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -108.49 -56.67 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.992 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -129.6 124.69 34.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.7 136.9 55.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.851 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -133.19 143.98 49.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 t -135.9 144.81 32.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.306 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.3 t -139.11 132.39 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.791 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.594 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.31 126.53 35.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.912 -178.808 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.407 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 31.0 ttpt -105.78 145.63 30.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.278 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.417 HG11 ' CE1' ' A' ' 48' ' ' HIS . 21.7 t -123.42 107.58 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.253 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -125.08 152.61 44.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -17.79 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.958 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -85.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 m -129.04 150.52 50.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.895 0.378 . . . . 0.0 111.513 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.417 ' CE1' HG11 ' A' ' 43' ' ' VAL . 24.0 m-70 -88.06 137.82 32.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.486 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.0 m -125.34 132.01 52.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 111.711 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.3 p -137.07 138.09 40.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.435 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -128.02 151.3 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.969 0.414 . . . . 0.0 111.321 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.81 140.27 38.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.937 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -140.9 109.17 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.498 -179.76 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 mp -102.76 145.46 29.69 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.882 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.14 136.47 43.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.953 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.5 m -139.9 159.65 26.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.161 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.77 103.77 3.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.52 -21.35 7.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.76 -173.45 42.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -140.32 133.02 28.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.802 0.334 . . . . 0.0 110.813 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 88' ' ' HIS . 3.7 mt -101.99 137.28 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.945 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -133.67 111.96 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.18 156.57 32.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.007 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.81 147.73 39.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.084 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.23 169.38 20.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.114 0.483 . . . . 0.0 111.664 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.75 161.08 38.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.288 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.81 170.66 36.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.806 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -65.15 -12.0 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -156.85 176.37 12.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.656 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.4 ' CE ' ' CG2' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -64.52 -16.02 61.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.366 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -88.93 -40.44 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.58 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.17 -39.36 63.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.367 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mm -71.67 -31.8 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -65.22 -56.97 9.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.89 -30.18 75.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.402 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 17.2 tp -72.26 -49.61 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.7 mm -67.37 -17.07 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.96 -53.07 9.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.041 0.448 . . . . 0.0 109.849 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -59.55 -38.04 80.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.635 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.467 HD13 ' N ' ' A' ' 81' ' ' LEU . 10.8 mp -58.39 -52.44 65.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.9 -60.15 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -34.52 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -74.4 -46.5 39.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.456 ' CB ' ' CE2' ' A' ' 31' ' ' PHE . 3.1 mm? -57.61 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.8 m -61.88 -44.83 96.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -64.46 0.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.496 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.451 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.0 p-80 -65.58 -28.06 68.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -21.3 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.7 t70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 179.876 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.03 0.443 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -131.21 150.83 51.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.277 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.459 HD12 HG21 ' A' ' 5' ' ' ILE . 27.3 mt -109.78 144.44 17.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.971 0.415 . . . . 0.0 111.657 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -140.97 118.74 11.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.808 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.56 151.3 17.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.445 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -125.19 109.1 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 68.68 36.35 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.408 ' CG2' ' CE ' ' A' ' 70' ' ' MET . 13.1 p -152.88 139.6 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.017 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.85 122.31 33.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 111.21 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.4 mm -74.34 117.55 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -110.25 137.12 48.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -34.73 -44.53 0.22 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.193 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.74 -47.58 71.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.92 -67.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.731 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -39.26 9.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.597 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.72 -46.36 84.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.606 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -56.52 -46.69 80.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 t -60.09 -52.62 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.72 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 m -61.46 -30.96 70.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.606 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.8 82.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.813 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -60.18 -59.83 4.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.655 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.421 ' CE1' HG13 ' A' ' 37' ' ' VAL . 11.4 m-85 -52.74 -42.84 65.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.41 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.64 -54.62 25.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.588 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -29.65 49.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.525 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 4.4 mp -79.02 -26.33 43.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -14.77 63.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.105 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -73.03 -61.02 1.96 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 1.8 p90 -80.93 -26.86 36.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.503 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 85' ' ' LEU . 3.5 m-85 -117.27 119.91 36.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 111.258 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.96 1.45 22.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.412 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -82.1 59.49 4.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.3 mt -133.97 112.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.06 -59.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -125.56 116.97 22.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.803 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.421 HG13 ' CE1' ' A' ' 24' ' ' PHE . 21.4 t -128.68 134.56 64.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -130.63 141.36 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.555 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.4 t -135.82 144.23 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.536 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 t -137.57 133.92 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.803 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.587 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.27 123.66 28.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.454 -0.793 . . . . 0.0 111.786 -178.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -100.73 142.4 32.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.335 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.15 105.74 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.399 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -123.96 152.37 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.542 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -52.66 -21.44 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.821 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.8 t -84.67 -84.82 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.26 151.69 49.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.913 0.387 . . . . 0.0 111.309 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 6.3 m170 -93.87 131.25 39.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.297 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.9 m -120.61 140.66 51.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.986 0.422 . . . . 0.0 111.774 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.8 p -138.66 143.15 39.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.509 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -128.69 147.03 50.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.932 0.396 . . . . 0.0 111.32 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' CB ' ' CD1' ' A' ' 77' ' ' LEU . . . -134.47 141.05 46.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.086 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -140.76 105.26 4.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.55 143.24 29.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.54 117.08 29.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.3 168.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -47.65 -56.27 7.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.4 -48.53 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.571 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.29 -171.04 34.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.721 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -141.3 138.01 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.688 0.28 . . . . 0.0 110.844 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.414 HD13 ' CE1' ' A' ' 88' ' ' HIS . 3.2 mt -101.15 134.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -134.32 112.19 10.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.64 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.76 165.65 25.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 p -140.68 153.56 46.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.23 156.88 45.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.944 0.402 . . . . 0.0 111.411 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -130.95 157.49 42.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.52 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.52 172.68 37.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.768 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.76 -12.62 25.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.43 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 6.0 p-10 -157.98 176.15 12.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.623 0.249 . . . . 0.0 110.558 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.408 ' CE ' ' CG2' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -59.61 -52.53 65.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.823 0.344 . . . . 0.0 110.819 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -55.93 -41.94 75.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.58 73.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.81 -31.06 10.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.23 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 mm -74.81 -37.97 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.687 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.61 -56.79 16.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.24 -28.72 73.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.206 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.402 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 12.2 tp -67.19 -42.65 83.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.05 0.452 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.8 mm -79.7 -16.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.962 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.61 -60.47 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.528 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -64.2 -33.97 77.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.672 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -49.61 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.97 71.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.746 0.307 . . . . 0.0 110.685 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -42.42 48.46 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.068 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -70.69 -38.24 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.035 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.512 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 mm? -58.39 -42.89 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.693 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -41.57 96.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.233 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -57.15 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.237 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 3.1 p-80 -74.35 -25.29 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.538 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.447 ' CE ' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -69.71 -19.42 63.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.484 -179.516 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 110.437 179.597 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.841 0.353 . . . . 0.0 110.76 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -134.45 141.0 46.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.025 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.447 HD12 HG21 ' A' ' 5' ' ' ILE . 3.2 mt -117.23 151.11 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.776 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.18 118.97 32.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.318 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.54 110.89 4.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.923 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -111.68 109.05 18.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.207 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 t30 64.39 32.66 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.41 . . . . 0.0 110.432 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -151.56 136.03 9.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.005 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -84.22 118.09 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -65.98 103.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -100.21 132.8 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -36.45 -39.46 0.2 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.2 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 18' ' ' GLU . . . -67.55 -47.25 70.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 111.211 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -50.71 67.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.303 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -46.17 82.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.62 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -62.48 -37.97 88.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.624 0.249 . . . . 0.0 110.691 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -57.58 -46.72 83.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.823 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.0 t -59.59 -48.85 85.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.724 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 m -64.39 -30.19 71.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.611 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.57 -45.29 77.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -69.31 -47.57 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -53.11 -48.61 67.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.87 -51.5 60.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.732 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -29.85 29.47 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -77.49 -32.06 53.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.976 0.417 . . . . 0.0 110.463 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -14.92 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.834 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.6 -55.23 9.3 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.671 0.272 . . . . 0.0 110.885 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.453 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -99.76 2.34 44.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.834 -179.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.439 ' CE1' ' HB3' ' A' ' 85' ' ' LEU . 20.8 m-85 -124.79 118.12 25.67 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.896 0.379 . . . . 0.0 110.72 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -108.7 -28.8 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -68.51 70.11 0.17 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.12 116.12 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.09 -61.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -128.6 125.29 37.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.77 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.27 136.11 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.472 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.82 132.44 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.543 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 t -126.57 146.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.281 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.2 t -144.13 132.64 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.548 . . . . 0.0 111.418 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.592 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.48 126.12 34.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.362 -179.342 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -108.29 147.42 31.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.623 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.1 t -125.72 108.65 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -124.83 153.07 43.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.616 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -17.25 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.933 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -85.59 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.13 150.93 50.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.852 0.358 . . . . 0.0 111.518 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -87.83 141.39 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.493 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -129.92 129.95 44.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.866 0.365 . . . . 0.0 111.703 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.9 p -135.26 137.59 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.296 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -129.16 151.77 49.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.056 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.22 110.12 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.017 0.437 . . . . 0.0 111.211 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.466 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.5 m -106.67 112.31 25.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.044 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.7 mp -100.7 145.67 28.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -95.99 129.37 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.2 t -110.41 168.66 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -45.41 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.385 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.13 27.98 9.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.391 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.33 171.37 37.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.419 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -140.26 128.92 23.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.422 HD11 ' CE1' ' A' ' 88' ' ' HIS . 10.8 mt -103.83 139.8 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -133.01 112.48 11.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -117.59 151.18 37.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.928 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.42 119.24 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.224 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.53 170.79 10.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.967 0.413 . . . . 0.0 111.721 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.31 161.36 37.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.474 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.58 169.89 35.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.718 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -64.38 -13.54 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.371 0.137 . . . . 0.0 111.371 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -153.46 176.15 12.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.57 -16.85 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.444 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -90.48 -37.88 13.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.89 80.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.01 -36.5 63.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.285 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.3 mm -75.58 -27.81 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -55.94 11.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.51 -27.47 72.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.341 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.438 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 3.8 tt -74.71 -52.14 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.416 HG12 HD22 ' A' ' 77' ' ' LEU . 22.7 mm -70.19 -15.2 18.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.895 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -53.0 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.436 . . . . 0.0 110.228 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -62.48 -35.09 78.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.771 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.438 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -63.93 -48.9 74.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.215 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.08 -60.66 3.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.233 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -52.69 -33.68 48.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.777 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -46.1 35.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.358 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.455 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 2.3 mm? -58.97 -43.49 91.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -40.34 95.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.006 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -62.05 1.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.564 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.461 ' CD2' ' N ' ' A' ' 89' ' ' LYS . 2.7 p-80 -67.19 -38.29 85.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.551 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.461 ' N ' ' CD2' ' A' ' 88' ' ' HIS . 3.3 tmtm? -62.25 -19.22 62.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.631 0.253 . . . . 0.0 111.303 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.393 . . . . 0.0 110.771 179.749 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.91 0.386 . . . . 0.0 110.765 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -141.72 159.62 41.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.52 154.04 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.762 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.5 m -141.65 118.9 11.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.124 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.99 131.71 10.67 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.818 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 8' ' ' ASN . 2.4 p30 -108.7 116.18 31.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 110.568 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 68.89 33.42 3.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.773 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.417 ' CG2' ' CE ' ' A' ' 70' ' ' MET . 13.1 p -152.06 135.94 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.9 120.48 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.9 mm -82.75 94.17 3.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.016 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.0 p -98.38 147.1 25.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.77 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -39.09 -33.4 0.13 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.876 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -47.08 73.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.061 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.405 ' CD1' ' HG2' ' A' ' 70' ' ' MET . 2.2 tp -56.98 -66.76 0.4 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 -47.19 -40.03 15.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.806 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.24 -52.06 65.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -49.28 -49.65 42.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 t -60.53 -51.21 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.421 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -62.11 -23.65 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.605 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.99 -45.97 71.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.791 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HB3' HG21 ' A' ' 78' ' ' ILE . 32.4 mmtt -76.29 -46.46 27.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.894 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -56.95 -13.34 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.211 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 -49.52 9.41 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.012 0.434 . . . . 0.0 109.92 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -15.63 62.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.117 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 6.0 mp -87.85 -42.83 12.27 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.779 0.323 . . . . 0.0 110.667 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.08 -15.48 9.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.312 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.55 -53.4 16.23 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.746 0.307 . . . . 0.0 110.844 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 3.1 p90 -95.83 2.29 53.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.574 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -115.04 118.87 34.61 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.758 0.313 . . . . 0.0 110.461 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.27 -29.86 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.001 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.1 mtt-85 -77.38 64.04 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.3 mt -136.51 124.06 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -124.96 -61.75 1.28 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.169 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -129.56 116.89 19.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.216 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 t -122.7 135.47 62.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.755 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.471 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -130.11 127.56 40.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.025 0.441 . . . . 0.0 111.165 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.3 t -122.46 146.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.002 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.407 ' HB ' ' OD2' ' A' ' 51' ' ' ASP . 24.6 t -144.52 134.63 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.219 0.533 . . . . 0.0 110.755 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.588 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.16 131.69 44.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.604 -179.01 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -106.7 136.45 46.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.578 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.417 HG12 ' CE1' ' A' ' 48' ' ' HIS . 21.9 t -117.47 117.5 55.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.052 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -136.31 152.69 50.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -51.9 -20.6 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.01 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.59 -84.93 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 m -129.18 154.53 46.67 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.016 0.436 . . . . 0.0 111.469 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.417 ' CE1' HG12 ' A' ' 43' ' ' VAL . 11.5 m-70 -98.89 136.46 38.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.452 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.8 m -129.56 139.24 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 111.467 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.7 p -133.25 147.38 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.759 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' OD2' ' HB ' ' A' ' 40' ' ' VAL . 1.6 p30 -129.89 148.27 51.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.603 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.04 114.01 8.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.937 0.399 . . . . 0.0 111.628 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.456 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -109.23 107.61 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.692 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.5 mp -100.71 146.36 27.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 111.439 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -106.69 134.72 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.901 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 m -141.46 117.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.24 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.5 m120 40.61 -95.02 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.773 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.78 31.85 4.63 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.571 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.29 155.69 23.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.19 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -134.98 117.72 16.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 111.193 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -102.37 138.38 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.429 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -133.59 112.21 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.331 . . . . 0.0 111.04 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -124.69 155.28 39.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.863 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -140.83 123.9 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -121.37 153.05 38.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.113 0.482 . . . . 0.0 111.987 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -130.86 157.43 42.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.033 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.96 -67.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.067 -1.063 . . . . 0.0 113.169 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -177.47 -24.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.409 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 4.0 p30 -147.77 176.6 9.99 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.417 ' CE ' ' CG2' ' A' ' 10' ' ' VAL . 7.4 tpp -53.6 -56.32 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.788 0.328 . . . . 0.0 111.21 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -59.21 -38.12 79.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.243 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.65 -53.04 62.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.388 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.62 -31.68 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.4 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.9 mm -78.72 -23.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.231 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -52.22 12.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.873 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.82 -37.01 88.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.239 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.01 -41.91 81.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.054 0.454 . . . . 0.0 110.625 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.422 HG21 ' HB3' ' A' ' 23' ' ' LYS . 23.2 mm -76.47 -15.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.078 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.12 -53.38 7.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -25.46 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.953 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -50.6 36.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.837 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.11 61.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -54.38 -34.53 61.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.438 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -76.54 -46.25 27.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.028 0.442 . . . . 0.0 110.729 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.451 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -56.52 -44.32 80.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.912 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -37.06 82.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -62.2 1.77 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.451 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 3.7 p-80 -62.84 -29.35 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.89 -16.86 63.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.248 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 120.769 0.319 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.725 0.298 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -141.16 158.01 44.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.89 154.15 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.3 m -140.56 118.95 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.987 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.02 133.66 11.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.061 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.475 ' OD1' ' HB2' ' A' ' 42' ' ' LYS . 11.6 p30 -107.51 116.84 32.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.693 0.282 . . . . 0.0 110.378 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.1 t30 62.02 37.62 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.575 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -151.37 133.33 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.965 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.72 118.42 15.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.809 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.1 mm -82.95 94.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -96.04 143.91 26.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -38.23 -33.93 0.11 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.042 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.24 -46.87 72.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.203 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -57.29 -66.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -48.89 -40.07 28.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.02 -51.65 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -49.67 -48.55 49.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.8 -53.41 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.7 m -60.06 -30.64 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.83 88.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -65.39 -55.8 16.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.612 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -48.1 -46.19 33.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.21 -55.63 17.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -26.52 53.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.493 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 10.8 mp -82.89 -26.04 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 110.829 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -13.17 35.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -72.6 -50.42 25.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.628 0.252 . . . . 0.0 111.331 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.493 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -98.59 -25.53 14.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.757 -179.509 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 20.5 m-30 -95.56 117.8 31.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.43 -7.29 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.48 47.97 1.49 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.81 0.338 . . . . 0.0 111.268 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 mt -133.85 107.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.737 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.65 -54.24 2.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.97 116.51 21.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 t -126.69 134.35 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.476 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -128.88 127.3 41.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.581 179.423 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 t -122.05 145.88 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.422 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -140.47 134.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.621 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.36 128.53 39.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.799 -178.776 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.475 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 4.3 ttpt -101.38 128.6 47.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.174 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.05 110.44 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.512 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 47' ' ' THR . 10.2 pt-20 -133.33 152.41 51.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.459 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -53.51 -20.57 5.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.893 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.16 -84.98 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 31.1 m -129.06 153.76 47.32 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.816 0.341 . . . . 0.0 111.314 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 48' ' ' HIS . 5.3 m-70 -102.33 133.87 46.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.733 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -124.32 141.75 51.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.147 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.0 p -138.43 147.06 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -135.74 146.91 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.72 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.14 110.6 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 111.752 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.464 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.3 m -104.2 114.08 28.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.714 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 mp -99.49 145.65 27.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.0 0.429 . . . . 0.0 111.217 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -91.33 125.15 36.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.96 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.55 168.78 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -46.33 -62.27 1.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.482 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.59 -53.4 1.06 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.801 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.59 -167.28 31.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.719 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -140.68 135.21 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.7 0.286 . . . . 0.0 110.668 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.3 mt -101.52 140.45 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.038 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.424 ' CG ' HG23 ' A' ' 53' ' ' THR . 7.8 t-160 -132.98 112.31 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.26 154.18 42.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -140.68 149.63 42.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.61 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.46 163.68 33.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 111.235 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -135.93 158.84 43.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.779 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.26 169.54 34.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.67 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -53.22 -18.26 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.407 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 3.9 p-10 -153.25 173.81 15.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.723 0.297 . . . . 0.0 110.651 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -53.99 52.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.813 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CE1' HD21 ' A' ' 16' ' ' LEU . 41.0 m-85 -56.43 -40.06 74.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.01 71.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.11 -31.81 20.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.205 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 43.6 mm -75.45 -33.41 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.417 ' O ' HG21 ' A' ' 78' ' ' ILE . 7.7 t0 -64.88 -57.08 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.24 93.67 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tt -69.59 -41.62 75.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.821 0.343 . . . . 0.0 111.326 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.417 HG21 ' O ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -71.95 -20.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.553 -179.66 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -79.72 -50.42 10.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -68.52 -33.45 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.788 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -65.17 -47.9 75.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.22 -55.8 30.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.878 0.37 . . . . 0.0 110.763 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -52.62 -31.99 39.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -40.16 69.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.017 0.437 . . . . 0.0 110.605 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.438 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.8 OUTLIER -59.64 -40.22 86.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.741 179.677 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -66.94 -39.37 87.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.688 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.273 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 8.3 p-80 -64.28 -26.4 68.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.239 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -14.82 60.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.558 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 t0 . . . . . 0 C--N 1.332 -0.188 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.748 0.309 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -141.15 159.12 42.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.6 mt -124.26 153.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.2 m -139.3 121.48 15.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.238 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.31 124.41 7.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.09 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.1 p30 -94.02 115.28 27.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 1.1 t30 86.53 -43.96 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.252 -178.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.4 ' CG2' ' H ' ' A' ' 11' ' ' GLU . 15.0 p -95.54 169.44 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.687 -179.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' H ' ' CG2' ' A' ' 10' ' ' VAL . 1.3 pm0 -110.5 147.67 33.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.846 0.355 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.8 mm -76.39 101.6 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.717 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 p -93.54 140.0 30.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -36.29 -37.82 0.13 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.171 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -68.98 -47.29 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.29 -46.65 87.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -70.03 -44.36 69.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.485 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 10.5 pt-20 -63.79 -47.67 79.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.734 0.302 . . . . 0.0 110.849 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -54.39 -47.74 72.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -60.81 -48.03 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 m -65.44 -34.23 77.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.409 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.27 -43.82 79.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.784 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HB3' HG12 ' A' ' 78' ' ' ILE . 13.5 mmtt -65.05 -52.14 57.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.303 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.405 ' CE2' HG13 ' A' ' 37' ' ' VAL . 5.7 m-85 -49.76 -42.45 46.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.696 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.52 -50.52 62.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.954 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -28.78 67.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.692 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.496 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 9.3 mp -82.68 -22.02 34.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.937 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -66.78 -12.43 58.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.677 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -68.07 -45.94 72.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.67 0.272 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.496 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -107.75 2.29 23.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.84 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.45 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 18.2 m-30 -111.88 118.57 35.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.51 -31.03 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -77.78 76.66 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.9 mt -144.14 114.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.49 -62.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.125 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.09 116.9 21.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 111.127 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.405 HG13 ' CE2' ' A' ' 24' ' ' PHE . 13.9 t -125.53 134.28 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.65 142.92 49.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 0.0 110.837 179.683 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.2 t -134.19 146.52 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.15 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 t -141.58 135.56 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.142 0.496 . . . . 0.0 111.062 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.597 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.35 128.08 38.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.741 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -101.93 136.57 41.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.416 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.98 109.99 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.175 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -130.16 152.75 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -20.38 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.892 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.7 t -86.48 -85.93 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.9 m -129.11 154.21 46.92 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.998 0.428 . . . . 0.0 111.379 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -97.0 134.18 40.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.533 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 m -123.96 141.48 52.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.917 0.389 . . . . 0.0 111.287 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.1 p -138.31 147.28 43.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.948 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -131.67 148.95 52.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.782 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.17 110.33 5.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.914 0.387 . . . . 0.0 111.501 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.456 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.2 m -108.74 109.31 20.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.1 mp -98.37 145.95 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.194 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -99.18 126.7 45.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.85 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 t -103.94 166.41 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -47.0 -67.07 0.31 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.231 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.99 27.1 8.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.417 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -162.22 172.9 38.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -138.46 124.91 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mt -102.49 139.48 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.649 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -133.24 112.18 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.25 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.13 153.12 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.604 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.2 p -140.9 120.88 13.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.759 0.314 . . . . 0.0 110.749 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.53 163.71 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.23 157.9 45.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.15 164.47 31.9 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.673 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -59.51 -17.2 29.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.579 0.228 . . . . 0.0 111.504 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -151.46 176.43 11.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 110.691 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.2 tpp -57.81 -56.5 21.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -56.16 -36.81 68.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.984 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.39 -49.2 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 110.987 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.66 -32.86 44.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.264 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.4 mm -78.0 -28.79 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -55.65 14.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.83 -33.17 74.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 tp -73.56 -34.61 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 111.189 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.43 HG12 ' HB3' ' A' ' 23' ' ' LYS . 2.6 tp -82.44 -16.61 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.5 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.05 -49.41 8.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.903 0.383 . . . . 0.0 110.34 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -69.54 -33.45 72.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.472 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.37 -50.58 59.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.013 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.48 -52.32 65.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 110.918 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -55.41 -33.61 63.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.309 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -76.29 -48.77 18.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.449 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . 3.4 mm? -57.12 -40.19 76.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.746 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -69.47 -38.52 77.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.0 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -53.12 -63.52 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.992 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 10.9 p-80 -64.56 -26.74 68.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -18.44 63.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.366 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.912 0.387 . . . . 0.0 111.035 179.926 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -133.08 146.0 51.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.463 HD12 HG21 ' A' ' 5' ' ' ILE . 30.3 mt -106.16 142.47 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.988 0.423 . . . . 0.0 111.395 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 2.2 m -149.04 118.23 6.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.69 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.62 168.47 12.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.231 -0.985 . . . . 0.0 113.566 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.95 109.14 12.62 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 69.27 42.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.949 0.404 . . . . 0.0 110.202 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.46 133.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.456 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.13 118.42 24.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.6 mm -82.36 103.37 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -104.29 155.32 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -33.52 -52.91 0.41 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.259 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.82 84.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.323 . . . . 0.0 111.066 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 4.6 tp -56.08 -51.68 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.724 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 1.2 ptt85 -66.92 -41.49 86.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.754 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 6.2 mt-10 -64.33 -56.7 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.731 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.84 -49.85 57.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.708 -0.223 . . . . 0.0 111.535 -179.084 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.444 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 18.1 t -58.49 -45.62 90.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 0.0 110.646 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -68.75 -29.66 68.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.787 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.16 87.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -67.11 -51.63 51.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.479 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -52.94 -45.64 67.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.48 -51.74 61.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -29.68 58.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 9.1 mp -80.77 -26.37 37.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -13.75 52.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.672 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -67.93 -58.5 4.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.805 0.336 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.473 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -89.65 2.37 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.468 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 19.2 m-30 -116.71 119.18 34.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.339 . . . . 0.0 110.734 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -107.9 -23.24 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -84.14 76.3 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.07 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.9 mt -144.02 117.12 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -121.23 -58.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.317 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -127.0 116.88 21.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.23 134.36 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.47 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.32 139.65 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -135.58 144.59 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.131 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 6' ' ' THR . 17.6 t -142.52 136.13 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 111.081 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.608 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.51 129.19 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.845 -179.099 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -106.74 143.08 35.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.468 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -122.3 110.8 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -128.66 152.51 48.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.574 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.81 -20.69 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.114 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.33 -84.39 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.9 152.95 48.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.864 0.364 . . . . 0.0 111.588 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 8.0 m170 -93.36 137.14 32.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.285 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -125.34 133.63 52.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.983 0.42 . . . . 0.0 111.661 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.7 p -133.87 140.7 47.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.209 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.2 p-10 -127.06 141.59 51.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 111.336 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.57 137.88 51.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.926 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.458 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 2.0 m -140.33 107.54 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.41 145.48 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -101.09 134.65 43.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.3 t -130.65 153.16 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.983 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -64.46 102.59 0.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.965 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.98 -16.76 58.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.971 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.46 163.38 29.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.723 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.56 132.42 27.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 110.777 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.413 HD12 ' CE1' ' A' ' 88' ' ' HIS . 2.4 mp -101.67 136.24 34.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.04 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -134.61 112.12 10.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.73 162.83 25.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.82 117.17 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.339 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.86 156.97 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 111.345 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -130.25 156.71 44.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.621 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.84 167.63 33.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.554 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -65.56 -13.23 58.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.572 0.225 . . . . 0.0 111.497 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.432 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 3.5 p-10 -154.95 176.16 12.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.737 0.303 . . . . 0.0 110.796 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.2 ttp -59.65 -58.02 10.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -55.36 -41.95 73.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.39 -50.65 72.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.029 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.25 -34.21 31.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.437 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 34.5 mm -76.48 -30.13 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -56.62 18.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.252 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.33 -24.15 77.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.298 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.6 tp -72.37 -45.19 60.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.407 . . . . 0.0 110.59 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.5 mm -79.59 -15.83 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.049 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.18 -57.62 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.453 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -64.59 -33.15 75.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.24 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -46.35 83.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.838 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.99 -58.09 9.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.98 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -51.95 -32.88 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.191 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -75.96 -45.46 34.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.987 0.423 . . . . 0.0 110.834 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.436 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -59.91 -42.26 93.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.724 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -67.04 -40.17 87.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -64.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.021 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 3.7 p-80 -61.73 -37.44 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.616 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -63.93 -17.41 63.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.81 0.338 . . . . 0.0 110.648 179.787 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.926 0.393 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -132.7 142.11 48.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -124.9 153.25 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 111.352 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.4 m -142.22 118.81 11.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.108 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.3 121.18 7.14 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.938 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.535 ' OD1' ' HB2' ' A' ' 42' ' ' LYS . 6.5 p30 -98.15 114.33 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.696 0.284 . . . . 0.0 110.47 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 65.5 36.44 6.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 0.0 110.591 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.9 p -151.4 134.32 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.867 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.75 114.84 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mm -76.27 94.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.006 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.8 p -96.93 145.17 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.746 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -35.17 -45.02 0.28 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.211 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -59.39 -46.81 87.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.934 0.397 . . . . 0.0 111.25 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -50.88 70.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.414 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -65.69 -45.76 81.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.735 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 18.9 pt-20 -60.8 -45.41 94.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.832 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -54.07 -47.46 71.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 t -61.59 -52.67 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.853 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.6 m -63.67 -29.1 70.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.62 84.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -70.08 -44.75 68.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -51.47 -48.15 62.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.03 -51.2 62.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -29.45 46.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.693 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 4.5 mp -80.83 -32.46 35.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.47 -14.94 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.545 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.44 -57.92 4.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.682 0.277 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.472 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.2 p90 -87.59 -23.95 24.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.511 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 20.2 m-30 -94.97 118.92 32.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.823 0.344 . . . . 0.0 110.582 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.6 -29.67 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -75.58 71.07 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.2 mt -139.76 124.36 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.8 -62.49 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.96 120.88 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.94 136.72 59.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.845 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -133.11 146.25 51.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 t -138.67 146.47 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.2 t -142.88 136.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.16 0.505 . . . . 0.0 110.978 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.77 129.79 41.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.828 -179.084 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.535 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 22.2 ttpt -102.11 136.17 42.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.325 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.405 HG21 ' CE ' ' A' ' 70' ' ' MET . 38.8 t -116.06 114.73 47.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.581 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -135.65 152.33 51.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.57 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.65 -20.18 7.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.93 -84.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.8 m -129.43 152.63 48.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 111.343 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 6.4 m170 -95.84 133.88 39.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.296 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.1 m -124.68 137.44 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.043 0.449 . . . . 0.0 111.569 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 98.1 p -134.01 141.53 47.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.31 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -126.51 150.05 49.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.403 . . . . 0.0 111.135 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.79 142.8 42.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.446 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -140.36 105.15 4.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.52 145.41 28.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.181 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.417 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 20.3 m-70 -109.38 134.52 51.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.671 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.2 t -141.75 117.4 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.331 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 41.19 -94.04 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.811 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.53 29.73 5.36 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.6 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.45 156.92 25.98 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.187 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 2.0 mt-10 -140.48 126.82 19.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 111.178 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.05 140.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.418 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -133.43 113.67 12.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.977 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.68 163.03 30.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.887 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.7 p -140.14 151.58 45.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.668 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.07 145.6 39.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.313 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.62 147.08 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.623 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.3 159.02 27.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.8 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -58.33 -15.81 11.91 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.414 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 10.9 p30 -154.1 176.69 11.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.742 0.306 . . . . 0.0 110.479 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.405 ' CE ' HG21 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -64.41 -15.63 60.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.316 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -87.18 -38.62 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.793 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.11 -41.71 77.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.011 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.64 75.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.439 HD12 HG21 ' A' ' 74' ' ' ILE . 28.6 mm -75.47 -28.21 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.97 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.27 -53.59 34.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.08 -30.13 72.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.403 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 tp -67.49 -42.78 82.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.639 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.3 mm -80.06 -15.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.161 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.47 -59.56 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 110.605 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -37.33 87.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.526 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.29 -49.15 78.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.771 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.59 -59.73 4.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -32.21 18.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.204 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -75.34 -44.92 42.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.721 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . 3.2 mm? -59.27 -43.29 92.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 m -64.88 -40.33 94.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -60.36 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 1.5 p-80 -69.35 -28.83 66.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.253 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.41 ' N ' ' CD2' ' A' ' 88' ' ' HIS . 7.6 tmtt? -65.94 -21.26 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.251 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.098 179.927 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mtm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -121.39 129.51 53.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -123.47 147.62 47.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.45 155.63 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.72 153.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.214 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.42 118.72 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.133 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.02 123.97 8.05 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.95 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -102.14 116.94 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.568 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.5 t30 67.72 34.74 4.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.413 ' CG2' ' CE ' ' A' ' 70' ' ' MET . 11.6 p -152.25 135.99 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.76 118.12 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.857 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.0 mm -81.71 96.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.47 140.09 29.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.765 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -38.3 -36.31 0.22 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.069 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -47.54 65.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.0 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.11 -67.3 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.11 -38.17 11.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.38 -45.57 93.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CZ ' ' HE3' ' A' ' 23' ' ' LYS . 59.7 t80 -54.27 -46.85 72.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 t -61.58 -51.66 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.783 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -63.81 -31.34 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.587 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.14 89.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 23.8 mmtt -65.07 -53.03 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.45 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.428 ' CE1' HG11 ' A' ' 37' ' ' VAL . 4.4 m-85 -53.0 -44.64 67.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.553 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.98 -55.62 22.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.759 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -28.44 27.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.784 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 6.7 mp -80.39 -28.85 37.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.476 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.18 -14.02 22.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.492 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -72.01 -54.01 11.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.798 0.332 . . . . 0.0 111.013 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.447 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.1 p90 -93.55 -30.71 14.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.263 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -91.99 118.15 30.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.834 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -108.78 4.05 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.306 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -100.29 57.78 0.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 110.999 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.46 105.85 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -112.08 -54.84 2.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -125.37 116.27 21.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.675 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.428 HG11 ' CE1' ' A' ' 24' ' ' PHE . 3.2 t -126.12 134.08 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -128.11 125.08 38.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.578 179.257 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.2 t -124.0 144.25 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.31 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.42 134.37 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.194 0.521 . . . . 0.0 110.912 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.599 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.27 126.11 34.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.669 -179.014 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -102.43 138.42 39.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.325 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.4 t -119.67 109.61 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.41 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -128.82 152.51 48.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.611 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.03 -21.37 3.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.865 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.6 t -85.36 -84.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -129.48 153.78 47.64 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.917 0.389 . . . . 0.0 111.493 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -97.27 133.67 41.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.498 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.6 m -122.73 139.6 53.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 111.396 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.2 p -137.7 144.58 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.679 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -130.22 145.66 51.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.867 0.365 . . . . 0.0 111.085 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -132.54 140.73 48.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.453 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -140.66 106.79 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.057 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mp -101.46 145.74 28.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.008 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -107.64 140.12 41.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.1 t -136.06 152.85 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -59.95 104.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.032 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.09 -19.97 51.53 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.043 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.22 157.81 27.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.834 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -140.41 129.64 23.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 110.747 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mp -101.94 139.5 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.042 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.414 ' CD2' HG21 ' A' ' 53' ' ' THR . 17.4 t-160 -133.53 112.28 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.48 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.38 163.37 30.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.221 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.3 p -140.64 150.85 44.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.323 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.07 150.73 43.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.001 0.429 . . . . 0.0 111.587 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -119.7 151.08 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.7 160.13 28.63 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.711 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -59.16 -17.27 25.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.593 0.235 . . . . 0.0 111.509 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -153.63 169.65 22.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.744 0.307 . . . . 0.0 110.764 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.413 ' CE ' ' CG2' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -59.76 -19.81 52.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.413 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -85.92 -40.06 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.83 -42.26 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.81 -40.36 72.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.411 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.9 mm -73.33 -32.63 38.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.91 -56.1 20.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.96 -28.19 70.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.4 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.96 -43.96 67.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.7 mm -79.52 -15.45 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.68 -56.72 4.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -33.71 76.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.698 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -47.89 80.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.53 -57.93 10.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -49.02 -33.82 11.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.34 -40.85 67.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.514 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.7 OUTLIER -60.87 -41.91 96.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.735 179.704 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.06 -41.77 99.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.719 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -55.47 24.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.465 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.5 p-80 -70.93 -25.26 62.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.276 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -70.76 -20.39 62.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.203 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.42 -28.14 60.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -66.74 -40.57 88.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.5 mp -65.51 -71.65 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -66.72 86.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -114.61 80.88 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.948 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 mmt . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.789 0.328 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.96 83.01 1.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.751 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.93 149.36 44.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -144.25 164.37 30.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 pt -134.7 154.23 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 m -141.17 119.04 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.171 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.53 126.02 8.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.996 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -97.34 110.76 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.411 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.8 39.2 1.5 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.446 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.7 t -150.87 132.43 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -76.48 118.37 19.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -66.97 95.69 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 p -95.74 129.1 43.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.698 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -37.58 -34.12 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.21 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.32 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 111.323 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.81 -58.83 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -56.07 -42.77 77.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.51 -44.68 89.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -56.34 -44.63 80.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.1 t -64.05 -57.84 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.819 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -60.16 -29.41 68.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.771 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.56 86.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.022 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HB3' HG12 ' A' ' 78' ' ' ILE . 6.5 mmtt -67.48 -49.25 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.587 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.415 ' CE2' HG13 ' A' ' 37' ' ' VAL . 4.8 m-85 -49.69 -47.47 50.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.804 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.43 -54.32 28.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.064 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -27.09 55.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 10.8 mp -82.92 -25.04 32.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.657 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.06 -13.65 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.564 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -71.9 -47.48 52.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.719 0.295 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.1 p90 -102.35 2.7 37.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.811 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 15.4 m-30 -120.46 118.73 31.03 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.45 -27.73 9.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.914 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 70.68 3.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.016 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mt -141.48 123.1 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -128.55 -58.7 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.467 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.19 116.96 19.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 111.496 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.415 HG13 ' CE2' ' A' ' 24' ' ' PHE . 3.2 t -127.63 134.73 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -130.44 136.57 49.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.969 0.414 . . . . 0.0 111.105 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 t -129.84 143.88 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.071 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -141.73 135.08 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.586 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.18 129.74 42.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.732 -178.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -106.65 139.27 41.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.301 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.8 t -117.59 118.74 59.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.179 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -136.89 152.64 50.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.5 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -45.72 -27.69 0.87 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.504 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -89.31 -128.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.49 155.2 23.5 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-O 120.92 0.39 . . . . 0.0 111.347 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 9.2 m170 -94.75 150.64 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.315 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -134.05 119.8 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 0.0 111.606 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.68 141.83 51.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.568 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -124.75 152.09 44.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.136 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.3 110.43 5.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.029 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.445 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 3.1 m -110.06 111.11 22.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.104 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.4 mp -100.61 145.37 28.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -103.89 137.84 41.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 m -140.47 155.22 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -67.94 106.92 2.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.18 -20.73 9.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.585 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.46 -174.05 42.61 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -140.46 131.78 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.18 140.68 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -133.36 112.16 11.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.834 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.84 155.37 41.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.87 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 149.02 41.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.473 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.56 159.2 42.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 111.455 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -122.08 149.59 43.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.626 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.11 157.27 27.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.68 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -16.14 27.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.532 0.206 . . . . 0.0 111.533 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.418 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 1.2 p-10 -150.59 169.12 22.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.836 0.35 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -19.51 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.293 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -89.97 -39.3 13.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 110.816 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.12 -46.17 85.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.17 -34.4 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.4 mm -76.97 -30.45 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -54.96 19.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.762 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.41 -34.54 79.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.401 ' O ' HD21 ' A' ' 81' ' ' LEU . 65.9 tp -70.22 -43.06 71.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' A' ' 23' ' ' LYS . 2.8 tp -75.35 -17.24 15.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.347 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -78.5 -54.69 5.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -67.33 -28.91 68.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.759 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -66.75 -51.07 60.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.36 -56.2 24.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -52.63 -34.35 50.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.329 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -74.88 -45.14 44.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.967 0.413 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.454 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 2.8 mm? -57.97 -41.65 83.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.752 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.1 m -66.45 -40.01 89.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -52.04 -60.13 3.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.024 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 1.5 p-80 -68.29 -20.33 64.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -72.99 -21.69 60.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.201 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.9 -22.74 31.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.069 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -58.51 -54.1 50.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.048 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 mp -72.8 65.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.79 164.16 25.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.21 116.82 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 30.1 m80 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.935 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.915 0.388 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -125.47 145.65 49.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.5 139.69 51.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -119.51 122.49 41.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.0 mt -100.66 137.48 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.318 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 2.4 m -152.0 118.24 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.773 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 136.59 11.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.344 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -84.62 109.47 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.4 t30 70.53 45.22 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.265 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.2 t -151.17 134.79 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.41 125.18 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.7 mm -76.64 97.14 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 p -96.98 144.95 26.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.733 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 3.3 mp0 -33.14 -55.22 0.4 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.3 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.45 78.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.18 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.491 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -55.62 -67.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.978 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -40.11 74.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 2.7 tt0 -62.07 -52.71 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.505 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -57.83 -45.12 86.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.225 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 t -60.38 -49.48 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.023 0.439 . . . . 0.0 110.464 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -62.26 -30.02 70.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.292 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.12 -44.05 70.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.757 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HB3' HG12 ' A' ' 78' ' ' ILE . 17.7 mmtt -70.16 -55.0 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.58 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -48.67 -51.77 26.71 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.057 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.67 51.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.911 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -26.78 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 9.8 mp -82.04 -29.09 32.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.047 0.451 . . . . 0.0 110.689 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.92 -13.65 27.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.613 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.81 -57.99 4.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.716 0.293 . . . . 0.0 111.246 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.494 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -90.72 -11.76 38.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.808 -179.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.463 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 21.8 m-30 -106.13 119.53 39.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -107.92 -24.29 11.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -78.96 73.12 5.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.82 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.3 mt -143.04 123.48 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.0 -65.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -128.99 121.21 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.94 136.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -133.89 148.91 51.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 t -138.34 145.97 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 6' ' ' THR . 21.7 t -140.39 132.95 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.153 0.502 . . . . 0.0 111.131 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.587 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.75 127.65 37.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.057 -178.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -101.73 135.83 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.066 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.4 t -115.15 116.55 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 111.482 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -136.76 152.18 50.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.561 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -55.24 -19.63 8.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.809 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.7 t -84.69 -84.07 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 m -129.36 152.55 48.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.943 0.401 . . . . 0.0 111.416 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.428 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 4.7 m170 -96.29 133.39 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.396 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.3 m -127.03 138.75 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.939 0.4 . . . . 0.0 111.536 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.62 138.5 30.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -119.48 148.89 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.19 110.74 8.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 111.333 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.426 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -108.94 107.23 17.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.6 mp -98.33 144.68 27.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.902 0.382 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -105.52 138.64 41.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.985 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.414 HG21 ' CE1' ' A' ' 88' ' ' HIS . 21.7 t -131.58 156.33 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.035 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.71 102.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.24 -15.35 62.32 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.882 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.88 157.95 26.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.671 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -139.59 124.96 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.755 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.415 HD13 ' CE1' ' A' ' 88' ' ' HIS . 3.5 mt -102.52 140.62 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -133.47 111.95 11.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.718 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.2 158.31 40.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.96 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -140.9 151.18 44.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.44 166.48 26.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.035 0.445 . . . . 0.0 111.359 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -137.79 159.82 40.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.642 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -160.09 171.27 36.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.663 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -61.73 -12.74 18.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -154.12 176.13 12.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.683 0.277 . . . . 0.0 110.664 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.41 ' HE1' ' CB ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -59.27 -52.63 64.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.953 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -59.65 -39.12 83.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.6 -55.81 27.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.264 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.44 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.385 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 43.1 mm -77.88 -27.54 15.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -55.82 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.603 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.27 -33.18 81.8 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.437 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 tp -73.73 -45.9 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.407 HG12 ' HB3' ' A' ' 23' ' ' LYS . 1.1 tp -67.97 -19.39 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.286 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -80.23 -48.36 13.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.411 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -65.54 -36.11 82.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.724 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -51.89 59.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.58 4.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.868 0.366 . . . . 0.0 110.998 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -50.74 -32.49 19.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.3 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -74.95 -43.89 51.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.463 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . 3.0 mm? -61.69 -42.05 98.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -41.56 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -61.37 2.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.914 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.478 ' CD2' ' N ' ' A' ' 89' ' ' LYS . 2.6 p-80 -67.13 -41.05 86.78 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' N ' ' CD2' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -66.2 -17.51 64.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.629 0.252 . . . . 0.0 111.335 -179.573 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -36.85 48.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.922 0.391 . . . . 0.0 110.663 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -58.37 -53.96 52.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.8 mp -82.79 62.34 6.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -89.13 158.42 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.792 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.67 99.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.821 0.343 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -103.82 82.44 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -122.65 148.25 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.15 158.58 43.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.75 153.69 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -135.68 162.89 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.234 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.92 125.55 2.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.951 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.1 p30 -96.33 116.13 28.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 5.7 t-20 85.44 -43.21 0.06 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 11' ' ' GLU . 10.5 p -95.64 167.59 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' N ' ' CG2' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -110.36 148.7 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.995 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.9 mm -80.73 102.87 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.4 p -94.75 142.55 27.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -36.86 -40.81 0.29 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.16 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -48.02 72.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.047 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.2 tp -58.23 -60.18 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.661 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.2 ptt180 -52.4 -41.14 62.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.749 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.2 mm-40 -63.47 -52.45 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -52.8 -49.25 66.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.3 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.34 -44.66 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -71.21 -30.64 66.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.745 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.89 -44.74 82.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -72.12 -48.13 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.54 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -53.25 -46.37 69.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.631 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.41 71.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.766 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -28.24 67.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.468 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 9.3 mp -84.32 -25.14 29.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.66 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -65.95 -13.05 59.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.656 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -66.45 -49.76 65.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.714 0.292 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.498 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -101.64 2.51 38.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.859 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 22.0 m-30 -114.26 118.71 34.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.823 0.344 . . . . 0.0 111.007 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -108.52 -29.32 8.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.96 73.19 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.6 mt -144.3 116.66 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.07 -63.26 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.099 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.2 116.84 21.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.89 0.376 . . . . 0.0 111.26 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.4 t -124.86 133.05 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.11 137.19 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.992 0.425 . . . . 0.0 110.911 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 t -130.83 145.16 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.182 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.18 137.13 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.967 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.44 130.14 42.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.798 -179.027 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -101.38 133.93 45.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.359 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.83 116.33 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -136.48 152.69 50.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.569 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -52.7 -20.02 2.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.918 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.2 t -86.55 -85.96 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.7 m -128.9 154.76 46.2 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.88 0.371 . . . . 0.0 111.474 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -98.87 135.17 40.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.5 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.5 m -129.63 142.93 50.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.875 0.369 . . . . 0.0 111.466 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.8 m -141.35 146.61 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -128.26 143.52 51.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.698 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.01 110.35 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.973 0.416 . . . . 0.0 111.742 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 3.8 m -102.74 110.86 22.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.535 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.09 145.91 25.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.942 0.401 . . . . 0.0 111.197 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.427 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 6.7 m-70 -108.36 138.13 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.887 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -120.23 170.07 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -32.44 -54.18 0.33 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -141.51 41.36 1.24 Allowed Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.981 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.89 168.49 35.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.348 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.427 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 14.6 mt-10 -136.5 116.37 13.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.974 0.416 . . . . 0.0 111.402 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.7 mt -103.72 139.16 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.417 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -134.04 111.99 10.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.608 0.242 . . . . 0.0 110.981 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.48 157.58 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.805 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.0 m -141.02 148.87 40.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.241 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.46 156.64 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 111.877 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.12 160.15 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.054 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.95 -67.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.205 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 179.73 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -140.65 176.68 8.59 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.779 0.323 . . . . 0.0 110.401 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.0 tpp -62.67 -23.12 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.418 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -90.95 -32.81 15.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.87 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.029 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -31.2 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.0 mm -79.55 -24.49 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -52.82 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.733 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.92 -33.81 70.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.285 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.3 tp -68.75 -40.63 79.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.409 . . . . 0.0 110.652 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.2 mm -80.64 -13.71 12.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.114 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.21 -54.73 5.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.97 0.414 . . . . 0.0 110.491 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -68.06 -34.92 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.64 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -64.39 -48.56 74.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.928 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.82 -55.31 36.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -53.69 -32.73 52.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.401 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -76.85 -48.72 17.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.442 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 2.8 mm? -58.04 -42.78 86.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.838 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.7 m -66.37 -39.58 89.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -61.17 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 1.7 p-80 -66.85 -26.68 67.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.188 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -19.91 63.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.284 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.66 -26.76 37.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -70.52 -48.74 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.8 mp -94.63 44.91 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.012 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -103.92 -36.24 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.69 -179.25 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.7 t60 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.948 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 mtm . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.772 0.32 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -140.9 -155.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -110.12 143.09 40.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.54 167.84 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.428 HG22 HD11 ' A' ' 5' ' ' ILE . 2.6 mt -126.55 153.61 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -129.71 118.91 22.62 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.58 123.76 8.01 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.123 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -114.94 109.46 18.16 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 70.52 30.28 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.362 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.64 135.64 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.832 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.04 119.54 23.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.153 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.98 99.28 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.678 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -97.71 146.2 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -38.36 -33.48 0.1 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.991 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.28 -48.41 34.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -57.96 -66.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -38.61 23.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -62.81 -43.22 99.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -55.71 -47.11 77.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.2 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -61.39 -48.43 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -68.16 -32.42 72.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.29 -43.45 78.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -70.21 -51.74 28.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.424 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.8 m-85 -52.25 -45.58 65.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.579 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.35 69.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.716 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -27.96 58.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 8.5 mp -82.29 -27.91 32.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.88 -13.08 42.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.597 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.76 -56.32 8.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.765 0.317 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.47 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -89.41 -24.66 21.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.299 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.447 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 21.2 m-30 -92.89 127.1 38.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.729 0.3 . . . . 0.0 110.582 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -105.3 -31.5 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.012 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.28 66.53 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.971 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.7 mt -138.15 109.79 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -123.57 -58.94 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.57 116.68 20.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.981 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.424 HG11 ' CE1' ' A' ' 24' ' ' PHE . 22.1 t -130.95 135.56 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 0.4 OUTLIER -129.29 132.91 47.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.067 0.46 . . . . 0.0 110.936 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.4 t -123.16 144.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.296 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 t -141.54 131.95 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.011 0.434 . . . . 0.0 110.825 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.601 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.2 128.41 39.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.977 -178.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -103.9 138.56 40.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.202 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG11 ' CE1' ' A' ' 48' ' ' HIS . 25.6 t -119.89 114.32 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -132.89 152.72 51.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.459 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -51.53 -20.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.001 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.72 -85.23 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.2 m -129.09 154.22 46.89 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 111.42 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.417 ' CE1' HG11 ' A' ' 43' ' ' VAL . 6.1 m-70 -99.38 136.62 39.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.612 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.4 m -127.19 136.14 51.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.251 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -137.62 148.4 45.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -132.62 158.4 42.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.08 110.89 3.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.036 0.446 . . . . 0.0 111.615 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.446 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.8 m -103.82 109.14 20.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.752 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.7 mp -95.71 143.99 26.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.949 0.404 . . . . 0.0 110.975 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -101.72 136.06 42.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -135.35 146.36 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -59.32 105.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.769 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.73 -21.39 42.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.138 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.65 163.96 30.14 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.909 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -137.61 127.98 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.723 0.297 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mt -102.37 138.91 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -133.18 112.22 11.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.652 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.77 156.89 38.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.698 0.285 . . . . 0.0 111.248 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.78 147.07 38.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.319 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.53 164.57 30.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 111.394 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.7 162.17 36.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.533 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.01 174.67 39.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.73 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -16.93 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -153.41 174.32 14.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 110.6 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -53.33 58.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.451 ' CE1' ' CD2' ' A' ' 16' ' ' LEU . 58.4 m-85 -58.24 -40.01 80.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.82 -53.47 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.88 -34.54 55.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.311 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.49 -29.81 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -68.62 -53.47 22.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.787 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.29 -31.72 68.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.398 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.494 ' HA ' HD21 ' A' ' 77' ' ' LEU . 3.2 tm? -69.19 -41.54 77.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.471 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.0 mm -79.99 -14.81 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.83 -55.95 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 110.62 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -32.47 73.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.708 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.433 HD21 ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -63.84 -48.28 77.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.814 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -55.87 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -52.7 -33.91 49.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.299 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -45.68 39.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.77 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.471 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.6 OUTLIER -59.59 -41.0 89.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.84 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.444 ' HA ' ' CG ' ' A' ' 89' ' ' LYS . 0.6 OUTLIER -66.54 -40.53 89.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -54.82 42.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.828 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.9 p-80 -72.37 -42.17 65.57 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.455 ' N ' ' CD2' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -63.38 -17.31 62.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.508 -179.494 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.31 -44.97 70.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.789 0.328 . . . . 0.0 111.022 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -21.69 49.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.9 mp -96.43 36.23 1.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.348 . . . . 0.0 111.057 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -111.01 -31.42 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -121.92 135.99 54.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.912 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.796 0.331 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.25 -86.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.024 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.23 141.48 51.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.793 0.33 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -121.93 128.27 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.739 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.1 mt -102.0 137.62 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.468 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 2.8 m -151.85 118.31 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.753 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.0 136.73 10.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.17 -1.014 . . . . 0.0 113.489 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -84.45 109.73 18.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 t30 71.57 44.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.073 0.463 . . . . 0.0 110.191 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.6 t -151.57 135.61 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.74 126.01 36.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -79.33 98.41 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.8 p -103.46 153.87 20.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -33.01 -53.99 0.37 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.256 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.24 82.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -55.27 36.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.3 ptp180 -61.39 -42.46 98.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 3.8 mm-40 -61.93 -55.52 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -45.77 -53.77 9.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.828 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 t -61.48 -53.09 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.264 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.8 m -60.03 -31.09 69.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.18 89.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -67.26 -55.23 14.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.83 -47.94 60.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.04 47.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.0 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -28.47 41.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.459 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 7.9 mp -81.32 -29.74 34.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.34 -14.64 41.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.635 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.14 -59.48 2.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.342 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.1 p90 -87.63 2.39 51.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.94 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 15.3 m-30 -116.13 118.29 32.44 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.656 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.81 4.12 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.556 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.33 62.18 0.63 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 111.092 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mt -128.97 123.64 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -121.99 -62.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.104 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -128.87 118.25 22.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.84 136.27 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -134.23 148.9 50.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.997 0.427 . . . . 0.0 111.076 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.9 t -136.33 145.75 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.15 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 6' ' ' THR . 20.6 t -142.67 131.35 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 111.144 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.593 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.64 129.16 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.979 -178.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -100.83 137.96 38.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.097 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.5 110.31 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.473 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -130.27 152.33 49.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.425 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -20.73 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.819 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -84.5 -84.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.7 m -129.49 152.6 48.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.865 0.364 . . . . 0.0 111.447 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -97.23 132.05 43.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.241 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.4 m -125.68 139.57 53.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.571 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.9 m -140.36 139.39 35.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.766 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -119.1 145.63 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.04 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.52 110.99 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.321 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.438 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 4.5 m -110.66 106.11 15.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.704 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 54' ' ' LEU . 6.1 mp -100.02 145.7 27.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -94.35 125.02 38.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.65 168.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.777 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -47.06 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.192 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.47 29.19 9.3 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.508 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -165.43 174.87 41.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -140.31 130.31 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -102.14 137.95 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.0 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -133.52 112.3 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.18 159.89 33.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.823 0.344 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 m -140.61 120.23 13.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.329 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -111.9 143.53 42.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.013 0.435 . . . . 0.0 111.441 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.23 149.23 30.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.565 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.48 159.05 27.96 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.705 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.51 -16.11 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.533 0.206 . . . . 0.0 111.46 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.61 167.73 26.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.745 0.307 . . . . 0.0 110.816 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -19.79 53.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.212 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -86.8 -38.23 17.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.758 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.87 94.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.29 -38.26 65.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.315 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.9 mm -73.93 -35.11 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -56.75 17.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.693 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.48 -26.82 73.55 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.288 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.47 -44.65 70.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.066 0.46 . . . . 0.0 110.843 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mm -80.15 -14.64 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.109 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.9 -58.25 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.314 . . . . 0.0 110.434 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -32.86 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.737 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -47.79 81.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.816 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.85 -57.64 11.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -50.2 -33.62 19.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -75.63 -44.88 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.608 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.435 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -58.84 -44.48 90.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.772 179.759 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.9 m -63.09 -41.42 99.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -52.21 -54.14 34.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.3 p-80 -73.93 -16.82 61.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.304 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -24.83 58.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.323 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -83.93 -19.51 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.289 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -54.03 51.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.82 0.343 . . . . 0.0 110.998 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.5 mt -85.63 -66.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.22 12.27 8.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.453 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.34 38.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.767 0.318 . . . . 0.0 110.959 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.0 m170 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.94 179.855 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.792 0.33 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.0 86.31 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.75 147.32 44.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -142.21 159.95 41.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.88 154.07 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.6 m -139.2 118.57 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.852 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.39 130.34 10.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.976 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 8' ' ' ASN . 3.0 p30 -107.89 109.96 21.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 110.519 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.8 t30 72.21 34.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.667 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' CG2' ' CE ' ' A' ' 70' ' ' MET . 10.8 p -152.03 135.62 8.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.936 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.28 119.58 17.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 mm -82.5 93.84 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -98.14 145.56 26.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -36.95 -43.69 0.47 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.32 -45.12 76.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.987 0.422 . . . . 0.0 111.067 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 10.4 tp -55.83 -67.77 0.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.915 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -52.1 -39.52 59.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.745 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -64.01 -55.21 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.452 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -59.44 -45.9 90.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.334 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.5 t -63.52 -51.88 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.8 m -62.83 -38.21 89.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.402 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.89 -40.09 63.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -67.37 -54.19 22.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.31 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.423 ' CZ ' HG13 ' A' ' 37' ' ' VAL . 3.3 m-85 -52.19 -44.17 64.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.499 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.03 -52.63 62.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.707 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.71 -28.09 20.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.745 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 6.7 mp -81.81 -29.83 32.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.41 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.12 -13.99 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.524 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -72.05 -53.6 12.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.2 p90 -93.52 -24.23 18.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.398 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 21.3 m-30 -101.21 118.79 37.68 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.678 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.22 -1.38 20.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.391 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -90.45 50.74 1.88 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.0 113.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -113.32 -56.12 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -126.32 116.76 21.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.423 HG13 ' CZ ' ' A' ' 24' ' ' PHE . 18.9 t -122.05 134.08 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.4 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -128.9 125.66 38.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 t -122.3 146.76 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.525 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -141.81 134.27 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.21 0.529 . . . . 0.0 110.793 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.32 129.37 41.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.801 -178.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -108.27 137.12 46.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.415 HG13 ' CE1' ' A' ' 48' ' ' HIS . 21.9 t -117.65 116.92 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.242 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -136.63 152.97 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.676 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -53.64 -17.4 2.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.13 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -85.53 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.0 m -128.9 153.73 47.21 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.864 0.364 . . . . 0.0 111.45 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.415 ' CE1' HG13 ' A' ' 43' ' ' VAL . 12.3 m-70 -95.82 140.19 30.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 m -128.1 131.69 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 111.48 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -134.17 143.16 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.571 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -133.4 149.77 51.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.803 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.48 110.96 4.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.04 0.448 . . . . 0.0 111.689 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.461 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.9 m -103.18 111.89 24.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.719 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.1 145.91 27.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 111.211 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.419 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 14.2 m-70 -105.2 135.91 45.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.779 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.7 m -140.86 117.49 7.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.251 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m120 39.77 -94.89 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.824 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.47 33.11 4.43 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.7 158.44 27.06 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.213 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 1.9 mp0 -137.93 118.93 14.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 0.0 111.213 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 mp -102.22 141.86 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.507 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.401 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 13.7 t-160 -132.73 112.16 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.701 0.286 . . . . 0.0 111.112 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.48 148.9 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.834 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.4 m -141.53 126.98 18.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.472 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -121.92 164.96 16.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.995 0.426 . . . . 0.0 111.409 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.18 148.57 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.395 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.77 156.77 27.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.688 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -56.76 -17.34 8.76 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.99 173.17 14.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.817 0.341 . . . . 0.0 110.827 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.409 ' CE ' ' CD2' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -63.88 -17.86 63.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.453 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -90.31 -38.16 13.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.933 0.397 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.05 79.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.87 -33.77 62.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.2 mm -79.69 -29.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -65.25 -54.76 24.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.556 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.11 -35.34 83.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.571 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.416 ' O ' HD21 ' A' ' 81' ' ' LEU . 2.1 tm? -69.55 -41.93 75.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 110.743 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.7 mm -75.33 -17.31 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.108 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -78.17 -53.51 7.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.33 . . . . 0.0 110.719 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -68.61 -31.21 70.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.416 HD21 ' O ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -64.89 -48.82 72.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.509 179.616 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.06 -56.87 15.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.75 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -51.31 -32.03 23.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -72.45 -39.46 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.531 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 1.7 mp -60.84 -40.71 93.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.627 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -39.28 91.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -61.41 2.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.234 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.2 p-80 -69.43 -20.1 63.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.442 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -18.9 44.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.319 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.9 -44.84 60.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.031 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -32.04 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.94 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mt -110.96 85.03 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -100.05 -179.33 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -128.98 122.47 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.902 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -113.9 106.75 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -122.76 147.14 46.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.62 156.92 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.7 mt -120.6 151.23 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 m -151.68 118.61 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.53 139.28 15.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.246 -0.978 . . . . 0.0 113.518 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 8' ' ' ASN . 1.2 p30 -98.6 109.59 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 110.257 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.0 t30 72.62 38.13 0.81 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -152.01 136.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.94 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -86.97 125.79 34.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 111.202 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.0 mm -89.3 101.25 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -99.91 150.22 22.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -34.51 -44.38 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.65 73.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.89 -56.0 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -58.91 -43.63 91.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -60.74 -46.94 88.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 71' ' ' TYR . 29.3 t80 -51.65 -48.17 63.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.39 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 t -62.41 -52.99 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.1 m -63.34 -29.73 70.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.044 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -46.02 91.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.178 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -66.39 -52.47 46.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.668 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.42 ' CE1' HG12 ' A' ' 37' ' ' VAL . 2.6 m-85 -51.26 -44.75 61.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.59 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.14 -55.25 25.59 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.908 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.92 -28.09 21.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 6.4 mp -80.52 -28.47 37.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.061 0.457 . . . . 0.0 110.58 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -14.01 25.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.467 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -72.19 -55.1 7.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.445 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.1 p90 -91.9 -26.41 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.396 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -98.85 118.6 35.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.932 0.396 . . . . 0.0 110.697 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -108.43 -12.49 15.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.305 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -81.9 58.52 3.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.917 0.389 . . . . 0.0 111.079 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.7 mp -140.88 115.42 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.006 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -117.25 -56.42 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.741 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.27 116.52 21.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.42 HG12 ' CE1' ' A' ' 24' ' ' PHE . 4.6 t -125.54 134.77 65.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -129.96 129.82 44.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 179.514 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.45 147.19 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.439 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -143.55 130.49 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.208 0.528 . . . . 0.0 110.671 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.611 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.41 129.7 41.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.747 -178.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -105.29 131.58 52.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.29 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -114.64 114.17 45.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.419 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -135.9 152.45 51.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.567 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -54.51 -19.77 6.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.824 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -83.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -129.09 151.76 49.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.947 0.403 . . . . 0.0 111.465 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.422 ' CG ' ' HA ' ' A' ' 69' ' ' ASP . 22.9 m-70 -99.93 133.45 44.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.258 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.8 m -128.99 140.15 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.105 0.478 . . . . 0.0 111.829 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.3 p -134.81 144.45 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.492 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -136.0 150.93 49.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.94 116.04 6.06 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.257 0.551 . . . . 0.0 111.736 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.489 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 10.6 m -102.25 111.34 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.444 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.03 146.12 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.032 0.444 . . . . 0.0 111.36 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.418 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 18.7 m-70 -105.97 136.9 44.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.753 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.2 p -140.81 117.45 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.399 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 39.65 -95.07 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.945 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -119.12 33.43 4.72 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.655 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.99 161.4 28.57 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.187 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 3.5 mt-10 -140.12 122.8 16.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mt -102.04 141.36 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -133.35 111.86 11.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.76 155.19 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.651 0.262 . . . . 0.0 111.158 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.7 p -141.17 118.06 11.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.355 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.412 ' CB ' HD22 ' A' ' 77' ' ' LEU . . . -115.32 157.56 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 111.562 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -136.3 160.85 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.485 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.25 -107.55 0.49 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.384 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -131.62 -16.83 2.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.641 0.258 . . . . 0.0 111.145 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.422 ' HA ' ' CG ' ' A' ' 48' ' ' HIS . 5.9 p-10 -157.85 176.95 11.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.301 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -57.54 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.688 0.28 . . . . 0.0 111.175 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CZ ' ' CG ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -53.88 -43.3 69.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.423 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.83 -48.51 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.337 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.25 -32.75 38.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.57 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.5 mm -71.4 -50.55 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.46 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -51.18 -53.74 32.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.583 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.97 -46.46 94.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.801 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 65' ' ' ALA . 1.7 tm? -62.14 -41.41 98.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.742 0.306 . . . . 0.0 111.296 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.1 mm -69.5 -19.71 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 111.145 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -76.7 -54.3 6.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 0.0 110.534 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -62.98 -40.35 97.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.785 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.45 -47.85 83.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.98 -63.1 1.26 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.876 0.369 . . . . 0.0 111.015 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 mmm-85 -49.61 -30.71 9.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -73.01 -39.42 66.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.644 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.475 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.7 OUTLIER -60.69 -42.51 97.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.796 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.0 m -65.32 -39.07 91.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.721 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -54.66 -61.87 2.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.286 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.2 p-80 -67.68 -24.86 65.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.407 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -75.78 -15.56 60.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.251 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -73.12 -40.38 64.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.92 -29.63 56.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.055 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.92 59.26 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -146.71 122.06 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -142.27 33.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.985 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mtt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.75 0.309 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -93.01 59.76 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.89 133.02 42.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -132.09 138.34 48.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.69 153.01 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.26 118.95 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.056 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.97 123.99 8.08 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.993 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.475 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 10.5 p30 -107.04 111.62 24.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.427 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.4 t30 65.21 37.63 6.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.673 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.3 p -151.46 133.83 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.87 116.71 13.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.0 mm -80.31 94.04 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.78 141.89 28.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.713 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.06 -38.3 0.32 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.091 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -46.64 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 tp -56.84 -68.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 5.7 ptt-85 -47.47 -38.05 12.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.1 mt-10 -61.17 -47.49 85.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -54.55 -46.78 73.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 t -62.14 -52.82 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -63.25 -31.3 72.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.62 91.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -65.61 -54.03 33.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.592 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -51.8 -44.37 63.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.701 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.32 -54.65 33.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -54.03 -28.19 36.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 8.9 mp -82.57 -27.92 31.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.643 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -13.78 46.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.623 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -68.46 -58.28 4.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.863 0.364 . . . . 0.0 110.961 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 1.3 p90 -86.57 -12.41 48.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.494 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.445 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 18.2 m-30 -103.72 119.94 39.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.703 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -107.67 -27.3 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.44 65.89 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.6 mt -138.89 123.22 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.7 -57.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.162 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -129.03 117.1 20.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.913 0.387 . . . . 0.0 111.004 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.66 136.08 61.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.78 137.69 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.981 0.42 . . . . 0.0 110.983 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 t -135.96 146.16 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.096 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.84 137.12 24.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.166 0.508 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.555 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.37 130.98 43.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.901 -179.087 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.475 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 8.5 ttpt -102.79 134.81 45.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.107 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.1 t -115.39 116.39 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.608 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.79 152.27 50.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.511 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.05 -21.11 4.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.813 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.1 t -84.63 -84.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -129.53 154.26 47.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.036 0.446 . . . . 0.0 111.398 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 69' ' ' ASP . 7.5 m-70 -101.88 134.09 45.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.32 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.7 m -129.2 142.13 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.03 0.443 . . . . 0.0 111.614 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -137.86 145.14 41.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.784 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -122.98 147.27 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.08 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -132.81 141.03 48.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.255 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.444 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -140.47 105.99 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.956 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.37 143.66 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 111.048 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -104.09 138.05 41.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.6 t -135.74 153.13 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.68 106.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.67 -22.21 40.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.918 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.89 163.13 29.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.738 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -140.4 132.0 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.66 0.267 . . . . 0.0 110.828 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.413 HD12 ' CE1' ' A' ' 88' ' ' HIS . 1.6 mp -101.49 137.69 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.09 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.424 ' CG ' HG21 ' A' ' 53' ' ' THR . 5.6 t-160 -133.89 112.06 10.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.497 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -140.81 166.14 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.252 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 m -140.64 150.32 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.157 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.74 154.53 45.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.101 0.477 . . . . 0.0 111.635 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -138.24 162.6 33.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.429 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.82 -99.74 0.23 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.606 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -139.69 -21.7 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' HA ' ' CG ' ' A' ' 48' ' ' HIS . 3.7 p-10 -153.63 176.59 11.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.712 0.291 . . . . 0.0 110.596 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -23.3 53.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.498 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -85.19 -41.53 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.024 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.48 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.43 73.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.1 mm -75.66 -31.29 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.776 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -55.15 29.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.701 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.46 -29.07 71.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.364 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.4 tp -68.03 -42.97 79.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.625 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.8 mm -79.95 -15.7 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.106 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.58 -59.03 2.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -35.95 82.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -49.68 76.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.752 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.6 -58.78 6.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.051 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -49.7 -32.21 12.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.77 -45.87 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.445 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . 3.0 mm? -59.1 -43.99 91.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.95 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.408 HG23 ' CZ ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -67.03 -41.47 86.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.287 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -53.03 -64.61 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.451 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 5.5 p-80 -62.04 -42.59 99.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.074 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 88' ' ' HIS . 0.8 OUTLIER -58.86 -20.31 49.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.279 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -76.62 -33.51 58.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.868 0.366 . . . . 0.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -54.81 -30.06 56.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.071 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.95 -73.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.8 -78.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -121.45 -178.93 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.8 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.923 0.392 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.69 76.73 1.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.719 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.73 148.85 44.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.042 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -145.31 164.96 29.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.98 153.73 39.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.45 119.01 18.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.307 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.74 120.14 6.74 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.968 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -104.44 111.71 24.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 0.0 110.433 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 68.39 33.42 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.53 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.6 p -151.35 134.33 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.15 116.9 18.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.3 mm -72.83 94.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -91.46 134.63 34.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.621 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -37.34 -35.53 0.12 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.071 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -47.21 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.172 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -57.19 14.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 2.3 ptm180 -55.84 -42.38 75.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 1.2 mm-40 -58.53 -45.01 89.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -57.43 -44.71 84.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.1 t -61.56 -53.13 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 m -63.03 -30.32 71.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.98 86.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -67.42 -51.05 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.441 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.7 m-85 -51.93 -46.59 64.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.37 -51.98 55.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.622 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.13 -29.13 43.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 8.1 mp -78.61 -32.24 47.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.457 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -14.94 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.636 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -72.71 -53.0 12.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.733 0.302 . . . . 0.0 110.967 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.9 p90 -95.46 -23.96 16.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.412 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.441 ' CE1' ' HB3' ' A' ' 85' ' ' LEU . 12.0 m-85 -99.14 118.86 36.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.74 -27.74 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -70.48 66.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.1 mt -139.46 111.88 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.95 -58.91 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.84 116.53 21.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.837 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.441 HG11 ' CE1' ' A' ' 24' ' ' PHE . 11.6 t -127.37 134.47 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.63 132.87 46.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.704 179.457 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.2 t -127.26 145.22 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.371 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.6 t -142.82 136.13 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.29 128.77 40.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.704 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -106.58 141.04 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.516 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.403 HG11 ' CE1' ' A' ' 48' ' ' HIS . 22.8 t -120.17 113.66 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.366 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -132.72 152.74 51.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.561 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -20.37 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.157 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.2 t -88.24 -84.8 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.1 t -130.09 154.08 47.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.976 0.417 . . . . 0.0 111.582 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.425 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 10.6 m170 -94.71 138.1 32.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.231 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.1 m -126.87 130.67 50.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.937 0.399 . . . . 0.0 111.566 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.0 p -130.08 145.32 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.458 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -127.98 143.04 51.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.18 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' CB ' ' CD1' ' A' ' 77' ' ' LEU . . . -135.22 110.82 9.2 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.447 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -112.07 108.2 17.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.112 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.21 145.44 27.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -101.0 133.49 45.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.94 154.56 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -69.09 103.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.16 -20.38 30.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.666 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.49 170.93 36.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.606 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -140.56 134.95 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.648 0.261 . . . . 0.0 110.598 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.414 HD13 ' CE1' ' A' ' 88' ' ' HIS . 3.0 mp -101.83 136.66 32.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 111.2 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.41 ' CG ' HG22 ' A' ' 53' ' ' THR . 3.8 t-160 -133.57 112.56 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.507 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -137.43 164.12 29.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.876 0.37 . . . . 0.0 111.322 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.7 p -140.61 153.17 45.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.404 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.69 134.02 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 111.488 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -104.95 155.44 18.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.585 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.68 167.16 33.57 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.664 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -61.96 -14.76 38.05 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.703 0.261 . . . . 0.0 111.703 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.425 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 0.9 OUTLIER -156.84 176.01 13.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -17.13 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.33 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -87.6 -40.31 14.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.829 0.347 . . . . 0.0 110.804 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.34 92.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.22 -39.64 66.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.0 mm -72.6 -32.52 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.898 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -56.45 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.09 -22.09 78.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.247 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.403 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 13.3 tp -73.94 -45.65 49.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.701 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.8 mm -79.06 -15.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.09 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.83 -57.22 3.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 110.536 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -65.64 -33.32 75.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -47.54 76.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.019 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.68 -56.52 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 111.001 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -51.06 -35.87 36.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.357 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -74.01 -44.48 54.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 110.38 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.457 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.2 OUTLIER -57.79 -43.04 85.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.485 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.24 99.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.744 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -51.11 -53.45 34.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.77 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.457 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.5 p-80 -75.45 -20.92 58.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -26.03 67.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.07 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -24.67 62.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.013 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -55.28 -30.34 59.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.8 mp -131.94 83.24 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.44 -45.81 2.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.85 139.54 58.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 72.0 m80 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.144 -0.932 . . . . 0.0 110.929 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.822 0.344 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -112.53 106.23 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -123.37 147.26 47.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -139.51 154.6 47.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.443 HG21 HD11 ' A' ' 5' ' ' ILE . 19.3 mt -117.82 149.43 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.308 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 3.0 m -151.72 118.28 5.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.736 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.43 136.59 12.95 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.511 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -90.53 109.34 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 70.51 41.61 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 t -151.22 134.54 7.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -88.74 124.27 33.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.966 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -71.77 109.95 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.8 p -114.09 144.93 42.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -33.25 -51.95 0.35 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.33 85.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -56.03 -53.68 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.851 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -67.46 -41.48 84.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.788 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.58 -55.86 23.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.456 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -51.2 -48.78 61.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.088 -179.346 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.446 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 24.6 t -60.65 -52.57 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.21 0.529 . . . . 0.0 110.364 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -59.85 -23.59 63.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.619 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.69 77.96 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.792 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -72.55 -43.15 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.945 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.67 -13.44 32.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.101 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.26 -54.36 5.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.949 0.404 . . . . 0.0 110.32 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -68.0 -15.98 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.942 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.6 mp -87.58 -37.14 17.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.526 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.28 -15.72 17.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.35 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -55.92 8.58 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.597 0.237 . . . . 0.0 111.16 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.4 p90 -90.22 -23.37 21.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.507 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 18.5 m-30 -93.47 118.79 31.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.806 0.336 . . . . 0.0 110.649 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.08 -31.69 9.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.72 69.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.9 mt -141.08 111.16 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -120.99 -56.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.722 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -127.5 116.55 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.769 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 t -124.24 135.8 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.54 129.8 41.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.095 0.474 . . . . 0.0 110.948 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.7 t -119.27 146.92 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.032 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 6' ' ' THR . 21.4 t -144.54 131.13 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-O 121.301 0.572 . . . . 0.0 111.082 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.607 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.51 129.29 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.67 -178.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -107.1 138.27 43.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.326 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.9 t -117.65 117.66 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.255 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -136.69 152.73 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.655 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -17.59 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.947 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -84.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 m -129.1 152.72 48.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 111.577 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -94.52 137.61 33.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.353 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.4 m -130.94 134.67 46.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.056 0.455 . . . . 0.0 111.719 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -134.22 147.64 50.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.547 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -136.48 145.25 44.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.17 111.22 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.988 0.423 . . . . 0.0 111.42 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.468 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 4.4 m -105.01 112.04 25.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.51 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mp -99.8 145.73 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.928 0.394 . . . . 0.0 111.287 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -94.25 129.09 41.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.55 166.29 3.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -46.63 -71.06 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.09 30.46 8.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.246 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.73 177.34 42.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.377 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.59 128.41 21.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.73 0.3 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.3 mt -102.09 141.7 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.407 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 5.8 t-160 -133.61 112.48 11.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.828 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.32 149.15 42.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.2 p -142.27 126.34 17.35 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.88 168.6 19.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.307 0.575 . . . . 0.0 112.331 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.2 167.18 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.864 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -154.36 -64.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.183 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -178.04 -20.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -145.99 176.55 9.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.76 0.314 . . . . 0.0 110.522 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -21.55 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.316 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -90.41 -37.75 13.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.205 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.69 78.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.442 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.49 -36.7 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.433 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.5 mm -77.89 -27.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -56.69 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.49 -34.06 86.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.412 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.405 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 23.5 tp -73.06 -48.75 33.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.083 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.6 tp -65.25 -19.33 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.291 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.63 -47.67 16.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.024 0.44 . . . . 0.0 110.014 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -64.87 -32.68 74.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.639 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.405 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -66.37 -50.93 61.86 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.222 179.8 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.27 -58.73 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -32.3 50.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.45 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -75.65 -46.74 29.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.082 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . 3.4 mm? -57.0 -44.17 82.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -67.83 -39.47 83.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.776 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -54.56 -63.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 3.3 p-80 -67.88 -17.17 64.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -80.36 -16.28 54.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.025 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -70.72 -55.39 8.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.0 110.487 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -24.8 18.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.023 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.5 mt -88.84 50.81 2.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.801 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.28 100.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.73 72.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mtm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.806 0.336 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.75 134.1 54.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -123.09 149.07 44.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -142.26 159.44 42.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.977 0.417 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.5 154.1 39.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.748 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -134.88 118.89 17.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.229 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.03 123.35 7.85 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.784 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.479 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 8.5 p30 -100.71 110.31 22.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.609 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 65.56 39.29 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.688 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.09 133.94 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.07 114.86 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mm -76.07 94.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p -92.52 137.49 32.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.676 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.73 -32.55 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.959 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.89 -48.08 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -62.5 1.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.4 -40.55 59.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -61.61 -42.86 99.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -54.68 -46.43 74.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.66 -48.92 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -66.69 -30.13 70.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.684 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.65 89.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -66.36 -51.51 56.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.531 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CZ ' HG13 ' A' ' 37' ' ' VAL . 2.9 m-85 -53.23 -45.06 68.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.62 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.97 -53.41 50.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -28.52 51.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.722 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 5.4 mp -81.94 -27.57 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.571 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.96 -13.92 40.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.658 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -68.91 -56.38 8.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 1.4 p90 -88.97 -21.49 23.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.423 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.423 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 19.3 m-30 -97.63 118.95 35.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 110.656 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -106.13 -26.28 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.028 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -75.4 64.38 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.3 mt -139.15 117.21 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -118.85 -58.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.06 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.49 117.07 21.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 111.035 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.426 HG13 ' CZ ' ' A' ' 24' ' ' PHE . 5.9 t -121.89 134.1 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.0 135.53 47.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 110.78 179.425 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.32 146.74 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.252 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -146.62 130.31 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.77 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.573 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.54 132.99 44.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.807 -178.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.479 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 28.4 ttpt -103.08 137.62 41.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.201 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.84 117.16 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.257 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -136.74 152.51 50.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.484 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -53.34 -20.02 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.863 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -85.91 -84.57 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -129.56 154.22 47.27 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.951 0.405 . . . . 0.0 111.482 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -99.27 135.43 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.378 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.0 m -130.57 140.17 50.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.014 0.435 . . . . 0.0 111.494 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t -139.48 147.42 41.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.914 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -126.93 147.3 50.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.688 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.28 110.28 5.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.447 . . . . 0.0 111.633 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.466 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 36.4 m -108.57 111.42 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.806 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.4 145.63 27.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.282 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -99.45 135.83 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 t -133.28 150.81 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -64.73 103.84 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.671 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.4 -19.63 39.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.88 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.2 168.92 34.72 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.765 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.91 130.88 26.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 0.0 110.704 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.47 140.05 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.251 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -133.24 112.19 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.575 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.81 153.63 46.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.345 . . . . 0.0 111.349 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 81.3 p -142.05 126.44 17.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.59 169.24 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.123 0.487 . . . . 0.0 112.161 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.96 163.17 33.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.225 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.35 -69.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.1 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -178.73 -21.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.47 176.49 9.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.827 0.346 . . . . 0.0 110.738 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -21.84 65.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.338 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -90.96 -37.89 13.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.078 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.7 -48.61 76.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.265 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.51 -32.15 38.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.319 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.5 mm -79.35 -30.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -57.06 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.076 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.22 -37.88 91.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.552 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 17.8 tp -67.8 -47.43 69.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.357 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.53 -15.02 18.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -52.95 9.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.003 0.43 . . . . 0.0 110.165 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -61.78 -38.45 88.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.849 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -60.8 -45.16 95.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.27 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.8 -62.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -51.79 -33.89 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.748 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -75.15 -44.22 48.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 111.068 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -59.61 -42.17 92.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.03 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -40.14 85.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -53.7 -64.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.296 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.443 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 3.1 p-80 -62.44 -30.27 71.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.417 ' HD2' ' CD1' ' A' ' 31' ' ' PHE . 13.5 mttp -69.69 -17.72 63.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.343 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -75.27 -33.0 61.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.855 0.359 . . . . 0.0 110.619 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -61.99 -30.98 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.744 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.68 47.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.048 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -140.03 30.03 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.97 30.79 2.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.82 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.7 mtm . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.766 0.317 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.13 -69.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.995 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -119.94 141.22 49.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.971 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -137.41 149.55 47.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.421 HG23 HD11 ' A' ' 5' ' ' ILE . 17.2 mt -119.35 151.29 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.058 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.5 m -118.36 119.24 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.9 109.81 3.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.619 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.411 ' N ' ' ND2' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -116.94 109.27 16.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.741 0.305 . . . . 0.0 110.473 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.4 t30 58.81 31.05 20.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.641 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.4 ' CG2' ' CE ' ' A' ' 70' ' ' MET . 9.2 p -151.6 135.75 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -83.64 115.67 22.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.2 mm -70.11 109.43 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 p -104.69 137.34 42.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -34.79 -43.8 0.19 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.239 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.29 -47.58 83.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -64.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -52.98 -43.83 66.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -56.84 -46.03 81.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -57.4 -44.54 84.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.7 -58.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -59.17 -30.23 68.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.78 87.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -69.86 -49.0 56.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.683 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -51.74 -49.76 61.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.04 -51.22 62.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -29.72 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.961 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 4.8 mp -77.12 -31.29 55.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 110.564 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -14.38 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.413 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -72.05 -58.4 3.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.695 0.283 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.3 p90 -86.93 -22.99 25.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.462 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.456 ' CE2' ' CB ' ' A' ' 85' ' ' LEU . 20.9 m-30 -98.93 118.9 36.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.358 . . . . 0.0 110.659 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.21 4.21 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.485 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -106.92 65.75 0.67 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.935 0.398 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.5 mt -138.94 108.42 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -108.49 -56.67 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.992 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -129.6 124.69 34.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.7 136.9 55.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.851 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -133.19 143.98 49.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 t -135.9 144.81 32.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.306 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.3 t -139.11 132.39 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.791 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.594 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.31 126.53 35.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.912 -178.808 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 31.0 ttpt -105.78 145.63 30.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.278 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG11 ' CE1' ' A' ' 48' ' ' HIS . 21.7 t -123.42 107.58 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.253 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -125.08 152.61 44.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -17.79 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.958 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -85.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 m -129.04 150.52 50.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.895 0.378 . . . . 0.0 111.513 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.417 ' CE1' HG11 ' A' ' 43' ' ' VAL . 24.0 m-70 -88.06 137.82 32.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.486 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.0 m -125.34 132.01 52.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 111.711 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.3 p -137.07 138.09 40.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.435 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -128.02 151.3 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.969 0.414 . . . . 0.0 111.321 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.81 140.27 38.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.937 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -140.9 109.17 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.498 -179.76 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 mp -102.76 145.46 29.69 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.882 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.14 136.47 43.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.953 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.5 m -139.9 159.65 26.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.161 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.77 103.77 3.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.52 -21.35 7.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.76 -173.45 42.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -140.32 133.02 28.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.802 0.334 . . . . 0.0 110.813 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 88' ' ' HIS . 3.7 mt -101.99 137.28 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.945 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -133.67 111.96 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.18 156.57 32.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.007 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.81 147.73 39.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.084 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.23 169.38 20.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.114 0.483 . . . . 0.0 111.664 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.75 161.08 38.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.288 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.81 170.66 36.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.806 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -65.15 -12.0 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -156.85 176.37 12.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.656 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.4 ' CE ' ' CG2' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -64.52 -16.02 61.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.366 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -88.93 -40.44 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.58 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.17 -39.36 63.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.367 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mm -71.67 -31.8 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -65.22 -56.97 9.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.89 -30.18 75.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.402 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 17.2 tp -72.26 -49.61 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.7 mm -67.37 -17.07 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.96 -53.07 9.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.041 0.448 . . . . 0.0 109.849 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -59.55 -38.04 80.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.635 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.467 HD13 ' N ' ' A' ' 81' ' ' LEU . 10.8 mp -58.39 -52.44 65.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.9 -60.15 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -34.52 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -74.4 -46.5 39.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.456 ' CB ' ' CE2' ' A' ' 31' ' ' PHE . 3.1 mm? -57.61 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.8 m -61.88 -44.83 96.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -64.46 0.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.496 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.451 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.0 p-80 -65.58 -28.06 68.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -21.3 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.12 -31.54 64.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -49.45 -27.77 4.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.208 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.8 mp -91.3 56.23 3.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.93 -170.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -128.03 32.18 4.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.905 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.722 0.296 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.42 96.11 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.27 156.82 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -131.21 150.83 51.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.277 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.459 HD12 HG21 ' A' ' 5' ' ' ILE . 27.3 mt -109.78 144.44 17.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.971 0.415 . . . . 0.0 111.657 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -140.97 118.74 11.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.808 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.56 151.3 17.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.445 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -125.19 109.1 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 68.68 36.35 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.408 ' CG2' ' CE ' ' A' ' 70' ' ' MET . 13.1 p -152.88 139.6 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.017 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.85 122.31 33.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 111.21 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.4 mm -74.34 117.55 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -110.25 137.12 48.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -34.73 -44.53 0.22 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.193 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.74 -47.58 71.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.92 -67.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.731 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -39.26 9.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.597 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.72 -46.36 84.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.606 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -56.52 -46.69 80.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 t -60.09 -52.62 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.72 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 m -61.46 -30.96 70.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.606 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.8 82.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.813 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -60.18 -59.83 4.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.655 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.421 ' CE1' HG13 ' A' ' 37' ' ' VAL . 11.4 m-85 -52.74 -42.84 65.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.41 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.64 -54.62 25.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.588 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -29.65 49.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.525 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 4.4 mp -79.02 -26.33 43.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -14.77 63.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.105 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -73.03 -61.02 1.96 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 1.8 p90 -80.93 -26.86 36.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.503 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 85' ' ' LEU . 3.5 m-85 -117.27 119.91 36.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 111.258 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.96 1.45 22.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.412 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -82.1 59.49 4.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.3 mt -133.97 112.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.06 -59.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -125.56 116.97 22.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.803 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.421 HG13 ' CE1' ' A' ' 24' ' ' PHE . 21.4 t -128.68 134.56 64.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -130.63 141.36 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.555 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.4 t -135.82 144.23 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.536 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 t -137.57 133.92 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.803 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.587 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.27 123.66 28.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.454 -0.793 . . . . 0.0 111.786 -178.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -100.73 142.4 32.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.335 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.15 105.74 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.399 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -123.96 152.37 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.542 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -52.66 -21.44 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.821 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.8 t -84.67 -84.82 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.26 151.69 49.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.913 0.387 . . . . 0.0 111.309 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 6.3 m170 -93.87 131.25 39.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.297 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.9 m -120.61 140.66 51.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.986 0.422 . . . . 0.0 111.774 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.8 p -138.66 143.15 39.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.509 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -128.69 147.03 50.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.932 0.396 . . . . 0.0 111.32 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' CB ' ' CD1' ' A' ' 77' ' ' LEU . . . -134.47 141.05 46.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.086 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -140.76 105.26 4.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.55 143.24 29.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.54 117.08 29.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.3 168.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -47.65 -56.27 7.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.4 -48.53 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.571 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.29 -171.04 34.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.721 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -141.3 138.01 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.688 0.28 . . . . 0.0 110.844 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.414 HD13 ' CE1' ' A' ' 88' ' ' HIS . 3.2 mt -101.15 134.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -134.32 112.19 10.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.64 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.76 165.65 25.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 p -140.68 153.56 46.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.23 156.88 45.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.944 0.402 . . . . 0.0 111.411 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -130.95 157.49 42.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.52 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.52 172.68 37.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.768 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.76 -12.62 25.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.43 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 6.0 p-10 -157.98 176.15 12.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.623 0.249 . . . . 0.0 110.558 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.408 ' CE ' ' CG2' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -59.61 -52.53 65.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.823 0.344 . . . . 0.0 110.819 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -55.93 -41.94 75.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.58 73.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.81 -31.06 10.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.23 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 mm -74.81 -37.97 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.687 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.61 -56.79 16.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.24 -28.72 73.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.206 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 12.2 tp -67.19 -42.65 83.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.05 0.452 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.8 mm -79.7 -16.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.962 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.61 -60.47 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.528 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -64.2 -33.97 77.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.672 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -49.61 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.97 71.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.746 0.307 . . . . 0.0 110.685 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -42.42 48.46 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.068 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -70.69 -38.24 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.035 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.512 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . 1.5 mm? -58.39 -42.89 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.693 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -41.57 96.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.233 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -57.15 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.237 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 3.1 p-80 -74.35 -25.29 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.538 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' CE ' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -69.71 -19.42 63.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.484 -179.516 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.49 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 110.437 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -53.93 -26.69 26.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.028 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mp -125.43 31.28 5.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.07 143.99 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.51 64.24 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.894 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.449 ' O ' ' HB2' ' A' ' 2' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.696 0.284 . . . . 0.0 111.164 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 1' ' ' MET . 2.0 tp-100 175.61 32.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.076 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -96.4 133.05 41.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.841 0.353 . . . . 0.0 110.76 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -134.45 141.0 46.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.025 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.447 HD12 HG21 ' A' ' 5' ' ' ILE . 3.2 mt -117.23 151.11 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.776 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.18 118.97 32.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.318 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.54 110.89 4.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.923 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -111.68 109.05 18.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.207 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 t30 64.39 32.66 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.41 . . . . 0.0 110.432 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -151.56 136.03 9.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.005 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -84.22 118.09 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -65.98 103.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -100.21 132.8 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -36.45 -39.46 0.2 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.2 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 18' ' ' GLU . . . -67.55 -47.25 70.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 111.211 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -50.71 67.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.303 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -46.17 82.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.62 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -62.48 -37.97 88.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.624 0.249 . . . . 0.0 110.691 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -57.58 -46.72 83.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.823 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.0 t -59.59 -48.85 85.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.724 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 m -64.39 -30.19 71.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.611 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.57 -45.29 77.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -69.31 -47.57 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -53.11 -48.61 67.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.87 -51.5 60.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.732 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -29.85 29.47 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -77.49 -32.06 53.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.976 0.417 . . . . 0.0 110.463 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -14.92 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.834 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.6 -55.23 9.3 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.671 0.272 . . . . 0.0 110.885 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.453 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -99.76 2.34 44.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.834 -179.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.439 ' CE1' ' HB3' ' A' ' 85' ' ' LEU . 20.8 m-85 -124.79 118.12 25.67 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.896 0.379 . . . . 0.0 110.72 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -108.7 -28.8 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -68.51 70.11 0.17 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.12 116.12 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 2' ' ' GLN . 0.6 OUTLIER -111.09 -61.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -128.6 125.29 37.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.77 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.27 136.11 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.472 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.82 132.44 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.543 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 t -126.57 146.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.281 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.2 t -144.13 132.64 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.548 . . . . 0.0 111.418 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.592 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.48 126.12 34.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.362 -179.342 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -108.29 147.42 31.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.623 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.1 t -125.72 108.65 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -124.83 153.07 43.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.616 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -17.25 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.933 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -85.59 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.13 150.93 50.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.852 0.358 . . . . 0.0 111.518 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -87.83 141.39 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.493 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -129.92 129.95 44.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.866 0.365 . . . . 0.0 111.703 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.9 p -135.26 137.59 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.296 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -129.16 151.77 49.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.056 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.22 110.12 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.017 0.437 . . . . 0.0 111.211 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.466 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.5 m -106.67 112.31 25.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.044 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.7 mp -100.7 145.67 28.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -95.99 129.37 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.2 t -110.41 168.66 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -45.41 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.385 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.13 27.98 9.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.391 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.33 171.37 37.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.419 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -140.26 128.92 23.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.422 HD11 ' CE1' ' A' ' 88' ' ' HIS . 10.8 mt -103.83 139.8 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -133.01 112.48 11.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -117.59 151.18 37.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.928 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.42 119.24 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.224 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.53 170.79 10.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.967 0.413 . . . . 0.0 111.721 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.31 161.36 37.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.474 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.58 169.89 35.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.718 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -64.38 -13.54 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.371 0.137 . . . . 0.0 111.371 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -153.46 176.15 12.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.57 -16.85 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.444 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -90.48 -37.88 13.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.89 80.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.01 -36.5 63.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.285 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.3 mm -75.58 -27.81 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -55.94 11.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.51 -27.47 72.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.341 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.438 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 3.8 tt -74.71 -52.14 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.416 HG12 HD22 ' A' ' 77' ' ' LEU . 22.7 mm -70.19 -15.2 18.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.895 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -53.0 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.436 . . . . 0.0 110.228 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -62.48 -35.09 78.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.771 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.438 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -63.93 -48.9 74.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.215 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.08 -60.66 3.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.233 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -52.69 -33.68 48.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.777 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -46.1 35.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.358 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.455 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 2.3 mm? -58.97 -43.49 91.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -40.34 95.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.006 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -62.05 1.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.564 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.461 ' CD2' ' N ' ' A' ' 89' ' ' LYS . 2.7 p-80 -67.19 -38.29 85.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.551 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.461 ' N ' ' CD2' ' A' ' 88' ' ' HIS . 3.3 tmtm? -62.25 -19.22 62.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.631 0.253 . . . . 0.0 111.303 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.68 -36.82 73.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.393 . . . . 0.0 110.771 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -43.6 84.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.7 mp -100.6 79.69 2.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -81.68 -49.93 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.87 98.97 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.88 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.0 mtt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.75 0.31 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.72 -161.57 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.57 140.52 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 110.765 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -141.72 159.62 41.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.52 154.04 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.762 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.5 m -141.65 118.9 11.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.124 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.99 131.71 10.67 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.818 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 8' ' ' ASN . 2.4 p30 -108.7 116.18 31.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 110.568 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 68.89 33.42 3.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.773 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.417 ' CG2' ' CE ' ' A' ' 70' ' ' MET . 13.1 p -152.06 135.94 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.9 120.48 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.9 mm -82.75 94.17 3.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.016 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.0 p -98.38 147.1 25.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.77 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -39.09 -33.4 0.13 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.876 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -47.08 73.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.061 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.405 ' CD1' ' HG2' ' A' ' 70' ' ' MET . 2.2 tp -56.98 -66.76 0.4 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 -47.19 -40.03 15.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.806 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.24 -52.06 65.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -49.28 -49.65 42.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 t -60.53 -51.21 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.421 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -62.11 -23.65 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.605 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.99 -45.97 71.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.791 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HB3' HG21 ' A' ' 78' ' ' ILE . 32.4 mmtt -76.29 -46.46 27.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.894 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -56.95 -13.34 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.211 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 -49.52 9.41 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.012 0.434 . . . . 0.0 109.92 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -15.63 62.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.117 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 6.0 mp -87.85 -42.83 12.27 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.779 0.323 . . . . 0.0 110.667 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.08 -15.48 9.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.312 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.55 -53.4 16.23 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.746 0.307 . . . . 0.0 110.844 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 3.1 p90 -95.83 2.29 53.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.574 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -115.04 118.87 34.61 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.758 0.313 . . . . 0.0 110.461 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.27 -29.86 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.001 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.1 mtt-85 -77.38 64.04 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.3 mt -136.51 124.06 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -124.96 -61.75 1.28 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.169 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -129.56 116.89 19.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.216 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 t -122.7 135.47 62.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.755 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.471 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -130.11 127.56 40.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.025 0.441 . . . . 0.0 111.165 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.3 t -122.46 146.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.002 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.407 ' HB ' ' OD2' ' A' ' 51' ' ' ASP . 24.6 t -144.52 134.63 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.219 0.533 . . . . 0.0 110.755 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.588 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.16 131.69 44.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.604 -179.01 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -106.7 136.45 46.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.578 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG12 ' CE1' ' A' ' 48' ' ' HIS . 21.9 t -117.47 117.5 55.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.052 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -136.31 152.69 50.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -51.9 -20.6 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.01 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.59 -84.93 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 m -129.18 154.53 46.67 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.016 0.436 . . . . 0.0 111.469 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.417 ' CE1' HG12 ' A' ' 43' ' ' VAL . 11.5 m-70 -98.89 136.46 38.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.452 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.8 m -129.56 139.24 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 111.467 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.7 p -133.25 147.38 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.759 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' OD2' ' HB ' ' A' ' 40' ' ' VAL . 1.6 p30 -129.89 148.27 51.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.603 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.04 114.01 8.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.937 0.399 . . . . 0.0 111.628 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.456 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -109.23 107.61 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.692 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.5 mp -100.71 146.36 27.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 111.439 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -106.69 134.72 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.901 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 m -141.46 117.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.24 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.5 m120 40.61 -95.02 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.773 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.78 31.85 4.63 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.571 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.29 155.69 23.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.19 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -134.98 117.72 16.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 111.193 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -102.37 138.38 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.429 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -133.59 112.21 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.331 . . . . 0.0 111.04 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -124.69 155.28 39.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.863 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -140.83 123.9 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -121.37 153.05 38.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.113 0.482 . . . . 0.0 111.987 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -130.86 157.43 42.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.033 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.96 -67.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.067 -1.063 . . . . 0.0 113.169 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -177.47 -24.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 4.0 p30 -147.77 176.6 9.99 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.417 ' CE ' ' CG2' ' A' ' 10' ' ' VAL . 7.4 tpp -53.6 -56.32 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.788 0.328 . . . . 0.0 111.21 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -59.21 -38.12 79.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.243 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.65 -53.04 62.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.388 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.62 -31.68 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.4 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.9 mm -78.72 -23.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.231 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -52.22 12.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.873 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.82 -37.01 88.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.239 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.01 -41.91 81.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.054 0.454 . . . . 0.0 110.625 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.422 HG21 ' HB3' ' A' ' 23' ' ' LYS . 23.2 mm -76.47 -15.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.078 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.12 -53.38 7.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -25.46 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.953 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -50.6 36.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.837 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.11 61.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -54.38 -34.53 61.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.438 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -76.54 -46.25 27.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.028 0.442 . . . . 0.0 110.729 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.451 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -56.52 -44.32 80.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.912 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -37.06 82.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -62.2 1.77 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.451 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 3.7 p-80 -62.84 -29.35 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.89 -16.86 63.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.248 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.75 -28.66 30.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.769 0.319 . . . . 0.0 110.828 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -66.66 -48.79 68.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 mp -75.6 63.19 1.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm -122.23 139.22 54.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.802 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.94 105.02 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 m80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.889 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.857 0.361 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 61.38 157.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.05 148.27 45.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -141.16 158.01 44.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.89 154.15 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.3 m -140.56 118.95 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.987 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.02 133.66 11.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.061 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.475 ' OD1' ' HB2' ' A' ' 42' ' ' LYS . 11.6 p30 -107.51 116.84 32.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.693 0.282 . . . . 0.0 110.378 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.1 t30 62.02 37.62 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.575 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -151.37 133.33 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.965 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.72 118.42 15.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.809 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.1 mm -82.95 94.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -96.04 143.91 26.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -38.23 -33.93 0.11 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.042 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.24 -46.87 72.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.203 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -57.29 -66.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -48.89 -40.07 28.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.02 -51.65 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -49.67 -48.55 49.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.8 -53.41 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.7 m -60.06 -30.64 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.83 88.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -65.39 -55.8 16.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.612 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -48.1 -46.19 33.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.21 -55.63 17.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -26.52 53.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.493 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 10.8 mp -82.89 -26.04 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 110.829 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -13.17 35.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -72.6 -50.42 25.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.628 0.252 . . . . 0.0 111.331 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.493 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -98.59 -25.53 14.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.757 -179.509 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 20.5 m-30 -95.56 117.8 31.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.43 -7.29 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.48 47.97 1.49 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.81 0.338 . . . . 0.0 111.268 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 mt -133.85 107.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.737 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.65 -54.24 2.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.97 116.51 21.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 t -126.69 134.35 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.476 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -128.88 127.3 41.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.581 179.423 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 t -122.05 145.88 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.422 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -140.47 134.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.621 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.36 128.53 39.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.799 -178.776 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.475 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 4.3 ttpt -101.38 128.6 47.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.174 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.05 110.44 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.512 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 47' ' ' THR . 10.2 pt-20 -133.33 152.41 51.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.459 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -53.51 -20.57 5.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.893 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.16 -84.98 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 31.1 m -129.06 153.76 47.32 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.816 0.341 . . . . 0.0 111.314 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 48' ' ' HIS . 5.3 m-70 -102.33 133.87 46.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.733 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -124.32 141.75 51.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.147 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.0 p -138.43 147.06 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -135.74 146.91 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.72 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.14 110.6 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 111.752 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.464 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.3 m -104.2 114.08 28.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.714 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 mp -99.49 145.65 27.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.0 0.429 . . . . 0.0 111.217 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -91.33 125.15 36.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.96 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.55 168.78 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -46.33 -62.27 1.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.482 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.59 -53.4 1.06 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.801 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.59 -167.28 31.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.719 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -140.68 135.21 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.7 0.286 . . . . 0.0 110.668 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.3 mt -101.52 140.45 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.038 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.424 ' CG ' HG23 ' A' ' 53' ' ' THR . 7.8 t-160 -132.98 112.31 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.26 154.18 42.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -140.68 149.63 42.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.61 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.46 163.68 33.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 111.235 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -135.93 158.84 43.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.779 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.26 169.54 34.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.67 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -53.22 -18.26 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.407 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 3.9 p-10 -153.25 173.81 15.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.723 0.297 . . . . 0.0 110.651 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -53.99 52.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.813 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CE1' HD21 ' A' ' 16' ' ' LEU . 41.0 m-85 -56.43 -40.06 74.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.01 71.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.11 -31.81 20.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.205 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 43.6 mm -75.45 -33.41 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.417 ' O ' HG21 ' A' ' 78' ' ' ILE . 7.7 t0 -64.88 -57.08 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.24 93.67 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tt -69.59 -41.62 75.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.821 0.343 . . . . 0.0 111.326 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.417 HG21 ' O ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -71.95 -20.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.553 -179.66 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -79.72 -50.42 10.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -68.52 -33.45 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.788 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -65.17 -47.9 75.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.22 -55.8 30.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.878 0.37 . . . . 0.0 110.763 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -52.62 -31.99 39.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -40.16 69.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.017 0.437 . . . . 0.0 110.605 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.438 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.8 OUTLIER -59.64 -40.22 86.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.741 179.677 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -66.94 -39.37 87.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.688 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.273 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 8.3 p-80 -64.28 -26.4 68.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.239 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -14.82 60.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.558 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -81.8 -32.16 31.45 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -53.26 -51.99 60.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.58 -30.98 67.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.72 165.98 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -159.57 32.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.943 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -106.84 89.14 2.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -122.82 148.02 45.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -141.15 159.12 42.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.6 mt -124.26 153.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.2 m -139.3 121.48 15.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.238 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.31 124.41 7.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.09 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.1 p30 -94.02 115.28 27.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 1.1 t30 86.53 -43.96 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.252 -178.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.4 ' CG2' ' H ' ' A' ' 11' ' ' GLU . 15.0 p -95.54 169.44 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.687 -179.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' H ' ' CG2' ' A' ' 10' ' ' VAL . 1.3 pm0 -110.5 147.67 33.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.846 0.355 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.8 mm -76.39 101.6 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.717 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 p -93.54 140.0 30.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -36.29 -37.82 0.13 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.171 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -68.98 -47.29 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.29 -46.65 87.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -70.03 -44.36 69.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.485 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 10.5 pt-20 -63.79 -47.67 79.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.734 0.302 . . . . 0.0 110.849 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -54.39 -47.74 72.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -60.81 -48.03 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 m -65.44 -34.23 77.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.409 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.27 -43.82 79.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.784 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HB3' HG12 ' A' ' 78' ' ' ILE . 13.5 mmtt -65.05 -52.14 57.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.303 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.405 ' CE2' HG13 ' A' ' 37' ' ' VAL . 5.7 m-85 -49.76 -42.45 46.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.696 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.52 -50.52 62.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.954 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -28.78 67.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.692 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.496 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 9.3 mp -82.68 -22.02 34.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.937 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -66.78 -12.43 58.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.677 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -68.07 -45.94 72.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.67 0.272 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.496 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -107.75 2.29 23.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.84 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.45 ' CD2' ' HB3' ' A' ' 27' ' ' LEU . 18.2 m-30 -111.88 118.57 35.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.51 -31.03 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -77.78 76.66 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.9 mt -144.14 114.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.49 -62.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.125 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.09 116.9 21.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 111.127 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.405 HG13 ' CE2' ' A' ' 24' ' ' PHE . 13.9 t -125.53 134.28 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.65 142.92 49.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 0.0 110.837 179.683 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.2 t -134.19 146.52 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.15 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 t -141.58 135.56 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.142 0.496 . . . . 0.0 111.062 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.597 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.35 128.08 38.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.741 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -101.93 136.57 41.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.416 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.98 109.99 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.175 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -130.16 152.75 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -20.38 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.892 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.7 t -86.48 -85.93 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.9 m -129.11 154.21 46.92 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.998 0.428 . . . . 0.0 111.379 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -97.0 134.18 40.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.533 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 m -123.96 141.48 52.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.917 0.389 . . . . 0.0 111.287 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.1 p -138.31 147.28 43.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.948 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -131.67 148.95 52.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.782 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.17 110.33 5.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.914 0.387 . . . . 0.0 111.501 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.456 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.2 m -108.74 109.31 20.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.1 mp -98.37 145.95 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.194 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -99.18 126.7 45.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.85 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 t -103.94 166.41 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -47.0 -67.07 0.31 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.231 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.99 27.1 8.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.417 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -162.22 172.9 38.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -138.46 124.91 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mt -102.49 139.48 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.649 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -133.24 112.18 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.25 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.13 153.12 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.604 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.2 p -140.9 120.88 13.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.759 0.314 . . . . 0.0 110.749 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.53 163.71 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.23 157.9 45.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.15 164.47 31.9 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.673 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -59.51 -17.2 29.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.579 0.228 . . . . 0.0 111.504 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -151.46 176.43 11.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 110.691 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.2 tpp -57.81 -56.5 21.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -56.16 -36.81 68.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.984 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.39 -49.2 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 110.987 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.66 -32.86 44.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.264 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.4 mm -78.0 -28.79 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -55.65 14.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.83 -33.17 74.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 tp -73.56 -34.61 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 111.189 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.43 HG12 ' HB3' ' A' ' 23' ' ' LYS . 2.6 tp -82.44 -16.61 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.5 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.05 -49.41 8.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.903 0.383 . . . . 0.0 110.34 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -69.54 -33.45 72.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.472 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.37 -50.58 59.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.013 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.48 -52.32 65.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 110.918 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -55.41 -33.61 63.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.309 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -76.29 -48.77 18.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.449 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . 3.4 mm? -57.12 -40.19 76.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.746 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -69.47 -38.52 77.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.0 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -53.12 -63.52 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.992 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 10.9 p-80 -64.56 -26.74 68.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -18.44 63.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.366 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.53 -27.37 37.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.912 0.387 . . . . 0.0 111.035 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -56.64 -40.47 75.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mp -97.45 37.65 1.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -148.8 31.45 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -76.71 -29.63 56.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.916 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mmt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.794 0.33 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.35 -88.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -123.93 142.97 50.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -133.08 146.0 51.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.463 HD12 HG21 ' A' ' 5' ' ' ILE . 30.3 mt -106.16 142.47 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.988 0.423 . . . . 0.0 111.395 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 2.2 m -149.04 118.23 6.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.69 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.62 168.47 12.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.231 -0.985 . . . . 0.0 113.566 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.95 109.14 12.62 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 69.27 42.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.949 0.404 . . . . 0.0 110.202 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.46 133.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.456 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.13 118.42 24.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.6 mm -82.36 103.37 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -104.29 155.32 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -33.52 -52.91 0.41 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.259 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.82 84.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.323 . . . . 0.0 111.066 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 4.6 tp -56.08 -51.68 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.724 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 1.2 ptt85 -66.92 -41.49 86.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.754 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 6.2 mt-10 -64.33 -56.7 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.731 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.84 -49.85 57.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.708 -0.223 . . . . 0.0 111.535 -179.084 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.444 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 18.1 t -58.49 -45.62 90.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 0.0 110.646 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -68.75 -29.66 68.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.787 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.16 87.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -67.11 -51.63 51.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.479 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -52.94 -45.64 67.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.48 -51.74 61.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -29.68 58.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 9.1 mp -80.77 -26.37 37.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -13.75 52.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.672 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -67.93 -58.5 4.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.805 0.336 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.473 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -89.65 2.37 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.468 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 19.2 m-30 -116.71 119.18 34.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.339 . . . . 0.0 110.734 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -107.9 -23.24 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -84.14 76.3 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.07 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.9 mt -144.02 117.12 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -121.23 -58.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.317 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -127.0 116.88 21.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.23 134.36 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.47 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.32 139.65 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -135.58 144.59 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.131 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 6' ' ' THR . 17.6 t -142.52 136.13 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 111.081 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.608 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.51 129.19 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.845 -179.099 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -106.74 143.08 35.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.468 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -122.3 110.8 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -128.66 152.51 48.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.574 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.81 -20.69 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.114 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.33 -84.39 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.9 152.95 48.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.864 0.364 . . . . 0.0 111.588 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 8.0 m170 -93.36 137.14 32.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.285 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -125.34 133.63 52.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.983 0.42 . . . . 0.0 111.661 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.7 p -133.87 140.7 47.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.209 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.2 p-10 -127.06 141.59 51.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 111.336 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.57 137.88 51.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.926 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.458 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 2.0 m -140.33 107.54 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.41 145.48 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -101.09 134.65 43.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.3 t -130.65 153.16 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.983 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -64.46 102.59 0.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.965 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.98 -16.76 58.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.971 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.46 163.38 29.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.723 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.56 132.42 27.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 110.777 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.413 HD12 ' CE1' ' A' ' 88' ' ' HIS . 2.4 mp -101.67 136.24 34.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.04 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -134.61 112.12 10.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.73 162.83 25.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.82 117.17 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.339 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -112.86 156.97 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 111.345 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -130.25 156.71 44.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.621 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.84 167.63 33.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.554 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -65.56 -13.23 58.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.572 0.225 . . . . 0.0 111.497 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 3.5 p-10 -154.95 176.16 12.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.737 0.303 . . . . 0.0 110.796 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.2 ttp -59.65 -58.02 10.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -55.36 -41.95 73.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.39 -50.65 72.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.029 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.25 -34.21 31.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.437 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 34.5 mm -76.48 -30.13 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -56.62 18.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.252 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.33 -24.15 77.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.298 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.6 tp -72.37 -45.19 60.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.407 . . . . 0.0 110.59 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.5 mm -79.59 -15.83 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.049 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.18 -57.62 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.453 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -64.59 -33.15 75.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.24 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -46.35 83.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.838 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.99 -58.09 9.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.98 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -51.95 -32.88 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.191 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -75.96 -45.46 34.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.987 0.423 . . . . 0.0 110.834 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.436 ' HA ' ' CE1' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -59.91 -42.26 93.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.724 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -67.04 -40.17 87.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -64.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.021 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 3.7 p-80 -61.73 -37.44 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.616 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -63.93 -17.41 63.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -87.73 -31.1 19.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.81 0.338 . . . . 0.0 110.648 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -53.92 -34.14 58.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mt -82.36 59.37 4.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.763 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -131.89 159.2 39.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.71 112.32 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.1 p80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.947 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 tpp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.835 0.35 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -117.02 -95.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -123.2 142.55 50.79 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.926 0.393 . . . . 0.0 111.196 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -132.7 142.11 48.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -124.9 153.25 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 111.352 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.4 m -142.22 118.81 11.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.108 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.3 121.18 7.14 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.938 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.535 ' OD1' ' HB2' ' A' ' 42' ' ' LYS . 6.5 p30 -98.15 114.33 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.696 0.284 . . . . 0.0 110.47 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 65.5 36.44 6.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 0.0 110.591 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.9 p -151.4 134.32 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.867 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.75 114.84 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mm -76.27 94.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.006 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.8 p -96.93 145.17 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.746 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -35.17 -45.02 0.28 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.211 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -59.39 -46.81 87.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.934 0.397 . . . . 0.0 111.25 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -50.88 70.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.414 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -65.69 -45.76 81.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.735 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 18.9 pt-20 -60.8 -45.41 94.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.832 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -54.07 -47.46 71.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 t -61.59 -52.67 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.853 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.6 m -63.67 -29.1 70.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.62 84.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -70.08 -44.75 68.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -51.47 -48.15 62.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.03 -51.2 62.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -29.45 46.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.693 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 4.5 mp -80.83 -32.46 35.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.47 -14.94 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.545 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.44 -57.92 4.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.682 0.277 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.472 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.2 p90 -87.59 -23.95 24.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.511 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 20.2 m-30 -94.97 118.92 32.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.823 0.344 . . . . 0.0 110.582 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.6 -29.67 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -75.58 71.07 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.2 mt -139.76 124.36 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.8 -62.49 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.96 120.88 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.94 136.72 59.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.845 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -133.11 146.25 51.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 t -138.67 146.47 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.2 t -142.88 136.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.16 0.505 . . . . 0.0 110.978 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.77 129.79 41.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.828 -179.084 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.535 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 22.2 ttpt -102.11 136.17 42.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.325 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.405 HG21 ' CE ' ' A' ' 70' ' ' MET . 38.8 t -116.06 114.73 47.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.581 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -135.65 152.33 51.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.57 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.65 -20.18 7.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.93 -84.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.8 m -129.43 152.63 48.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 111.343 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 6.4 m170 -95.84 133.88 39.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.296 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.1 m -124.68 137.44 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.043 0.449 . . . . 0.0 111.569 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 98.1 p -134.01 141.53 47.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.31 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -126.51 150.05 49.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.403 . . . . 0.0 111.135 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.79 142.8 42.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.446 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -140.36 105.15 4.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.52 145.41 28.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.181 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.417 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 20.3 m-70 -109.38 134.52 51.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.671 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.2 t -141.75 117.4 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.331 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 41.19 -94.04 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.811 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.53 29.73 5.36 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.6 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.45 156.92 25.98 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.187 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 2.0 mt-10 -140.48 126.82 19.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 111.178 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.05 140.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.418 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -133.43 113.67 12.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.977 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.68 163.03 30.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.887 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.7 p -140.14 151.58 45.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.668 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.07 145.6 39.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.313 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.62 147.08 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.623 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.3 159.02 27.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.8 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -58.33 -15.81 11.91 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.414 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 10.9 p30 -154.1 176.69 11.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.742 0.306 . . . . 0.0 110.479 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.405 ' CE ' HG21 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -64.41 -15.63 60.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.316 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -87.18 -38.62 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.793 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.11 -41.71 77.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.011 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.64 75.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.439 HD12 HG21 ' A' ' 74' ' ' ILE . 28.6 mm -75.47 -28.21 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.97 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.27 -53.59 34.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.08 -30.13 72.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.403 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 tp -67.49 -42.78 82.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.639 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.3 mm -80.06 -15.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.161 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.47 -59.56 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 110.605 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -37.33 87.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.526 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.29 -49.15 78.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.771 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.59 -59.73 4.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -32.21 18.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.204 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -75.34 -44.92 42.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.721 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . 3.2 mm? -59.27 -43.29 92.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 m -64.88 -40.33 94.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -60.36 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 1.5 p-80 -69.35 -28.83 66.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.253 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.41 ' N ' ' CD2' ' A' ' 88' ' ' HIS . 7.6 tmtt? -65.94 -21.26 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.251 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.54 -23.97 58.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -45.52 -30.41 1.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.403 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.66 -73.26 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.27 30.96 15.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.031 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -70.67 -42.76 70.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.795 HD11 HG23 ' A' ' 21' ' ' THR . 1.3 pt? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.342 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.45 155.63 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.688 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -131.72 153.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.214 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.677 ' O ' HG13 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -139.42 118.72 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.133 179.379 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.646 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -102.02 123.97 8.05 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.95 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -102.14 116.94 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.568 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.5 t30 67.72 34.74 4.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.85 HG21 ' CE ' ' A' ' 70' ' ' MET . 11.6 p -152.25 135.99 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.76 118.12 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.857 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.646 HD11 ' HA3' ' A' ' 7' ' ' GLY . 25.0 mm -81.71 96.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.47 140.09 29.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.765 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -38.3 -36.31 0.22 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.069 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -47.54 65.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.0 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.788 HD21 ' HE3' ' A' ' 70' ' ' MET . 4.4 tp -57.11 -67.3 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.11 -38.17 11.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.38 -45.57 93.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CZ ' ' HE3' ' A' ' 23' ' ' LYS . 59.7 t80 -54.27 -46.85 72.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 t -61.58 -51.66 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.783 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.795 HG23 HD11 ' A' ' 3' ' ' LEU . 2.9 m -63.81 -31.34 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.587 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.14 89.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.634 ' HB3' HG21 ' A' ' 78' ' ' ILE . 23.8 mmtt -65.07 -53.03 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.45 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.787 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 4.4 m-85 -53.0 -44.64 67.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.553 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.98 -55.62 22.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.759 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -28.44 27.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.784 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 82' ' ' ALA . 6.7 mp -80.39 -28.85 37.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.476 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.18 -14.02 22.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.492 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -72.01 -54.01 11.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.798 0.332 . . . . 0.0 111.013 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.1 p90 -93.55 -30.71 14.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.263 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.808 ' HB3' HD11 ' A' ' 34' ' ' ILE . 17.7 m-30 -91.99 118.15 30.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.834 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -108.78 4.05 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.306 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.769 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.7 mmp_? -100.29 57.78 0.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 110.999 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.808 HD11 ' HB3' ' A' ' 31' ' ' PHE . 3.6 mp -140.46 105.85 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -112.08 -54.84 2.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -125.37 116.27 21.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.675 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.787 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 3.2 t -126.12 134.08 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.459 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -128.11 125.08 38.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.578 179.257 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.688 ' HB ' HG22 ' A' ' 5' ' ' ILE . 19.2 t -124.0 144.25 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.31 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 6' ' ' THR . 21.6 t -140.42 134.37 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.194 0.521 . . . . 0.0 110.912 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.865 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.27 126.11 34.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.669 -179.014 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -102.43 138.42 39.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.325 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.4 t -119.67 109.61 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.41 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -128.82 152.51 48.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.611 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.03 -21.37 3.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.865 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.6 t -85.36 -84.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -129.48 153.78 47.64 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.917 0.389 . . . . 0.0 111.493 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -97.27 133.67 41.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.498 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.6 m -122.73 139.6 53.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 111.396 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.406 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 51.2 p -137.7 144.58 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.679 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.598 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.5 p30 -130.22 145.66 51.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.867 0.365 . . . . 0.0 111.085 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.723 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -132.54 140.73 48.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.425 ' CB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -140.66 106.79 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.057 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.69 HD22 HD21 ' A' ' 85' ' ' LEU . 3.0 mp -101.46 145.74 28.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.008 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -107.64 140.12 41.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.769 HG13 ' HB3' ' A' ' 33' ' ' ARG . 35.1 t -136.06 152.85 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -59.95 104.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.032 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.09 -19.97 51.53 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.043 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.22 157.81 27.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.834 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -140.41 129.64 23.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 110.747 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.406 ' H ' HD12 ' A' ' 61' ' ' ILE . 3.6 mp -101.94 139.5 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.042 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.423 ' CG ' HG23 ' A' ' 53' ' ' THR . 2.5 t60 -133.53 112.28 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.48 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.641 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -135.38 163.37 30.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.221 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.3 p -140.64 150.85 44.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.323 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -141.07 150.73 43.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.001 0.429 . . . . 0.0 111.587 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -119.7 151.08 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.7 160.13 28.63 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.711 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -59.16 -17.27 25.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.593 0.235 . . . . 0.0 111.509 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -153.63 169.65 22.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.744 0.307 . . . . 0.0 110.764 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.85 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -59.76 -19.81 52.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.413 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -85.92 -40.06 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.83 -42.26 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 50' ' ' SER . . . -55.81 -40.36 72.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.411 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.9 mm -73.33 -32.63 38.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.91 -56.1 20.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.96 -28.19 70.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.4 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.745 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 13.0 tp -70.96 -43.96 67.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.634 HG21 ' HB3' ' A' ' 23' ' ' LYS . 46.7 mm -79.52 -15.45 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.68 -56.72 4.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -33.71 76.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.698 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -63.22 -47.89 80.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.561 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -57.53 -57.93 10.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -49.02 -33.82 11.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.34 -40.85 67.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.514 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -60.87 -41.91 96.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.735 179.704 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.614 HG23 ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.06 -41.77 99.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.719 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -55.47 24.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.478 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.5 p-80 -70.93 -25.26 62.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.276 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -70.76 -20.39 62.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.203 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -144.25 164.37 30.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.629 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.1 pt -134.7 154.23 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.821 ' O ' HG13 ' A' ' 40' ' ' VAL . 3.0 m -141.17 119.04 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.171 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.53 126.02 8.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.996 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -97.34 110.76 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.411 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.8 39.2 1.5 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.446 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.602 HG21 HG23 ' A' ' 43' ' ' VAL . 4.7 t -150.87 132.43 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -76.48 118.37 19.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -66.97 95.69 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 p -95.74 129.1 43.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.698 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -37.58 -34.12 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.21 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.32 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 111.323 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 16' ' ' LEU . 2.5 tm? -59.81 -58.83 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -56.07 -42.77 77.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.51 -44.68 89.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -56.34 -44.63 80.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.1 t -64.05 -57.84 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.819 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -60.16 -29.41 68.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.771 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.56 86.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.022 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.554 ' O ' HD13 ' A' ' 27' ' ' LEU . 6.5 mmtt -67.48 -49.25 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.587 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.593 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 4.8 m-85 -49.69 -47.47 50.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.804 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.43 -54.32 28.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.064 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -27.09 55.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 82' ' ' ALA . 10.8 mp -82.92 -25.04 32.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.657 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.06 -13.65 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.564 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -71.9 -47.48 52.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.719 0.295 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.1 p90 -102.35 2.7 37.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.811 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' HB3' HD11 ' A' ' 34' ' ' ILE . 15.4 m-30 -120.46 118.73 31.03 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.45 -27.73 9.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.914 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 70.68 3.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.016 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.475 HD11 ' HB3' ' A' ' 31' ' ' PHE . 31.7 mt -141.48 123.1 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -128.55 -58.7 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.467 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.19 116.96 19.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 111.496 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 3.2 t -127.63 134.73 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -130.44 136.57 49.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.969 0.414 . . . . 0.0 111.105 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 51' ' ' ASP . 14.8 t -129.84 143.88 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.071 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 6' ' ' THR . 22.4 t -141.73 135.08 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.843 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.18 129.74 42.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.732 -178.862 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -106.65 139.27 41.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.301 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.602 HG23 HG21 ' A' ' 10' ' ' VAL . 54.8 t -117.59 118.74 59.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.179 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -136.89 152.64 50.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.5 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -45.72 -27.69 0.87 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.504 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -89.31 -128.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.49 155.2 23.5 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-O 120.92 0.39 . . . . 0.0 111.347 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -94.75 150.64 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.315 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -134.05 119.8 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 0.0 111.606 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.548 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -128.68 141.83 51.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.568 179.372 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.725 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.1 p30 -124.75 152.09 44.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.136 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -142.3 110.43 5.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.029 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -110.06 111.11 22.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.104 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.574 HD13 HD12 ' A' ' 81' ' ' LEU . 6.4 mp -100.61 145.37 28.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -103.89 137.84 41.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 m -140.47 155.22 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -67.94 106.92 2.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.18 -20.73 9.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.585 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.46 -174.05 42.61 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -140.46 131.78 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.18 140.68 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -133.36 112.16 11.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.834 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.715 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -125.84 155.37 41.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.87 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 149.02 41.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.473 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -142.56 159.2 42.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 111.455 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -122.08 149.59 43.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.626 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.11 157.27 27.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.68 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -16.14 27.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.532 0.206 . . . . 0.0 111.533 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -150.59 169.12 22.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.836 0.35 . . . . 0.0 110.717 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.596 ' CE ' HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -60.86 -19.51 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -89.97 -39.3 13.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 110.816 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.12 -46.17 85.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.548 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -54.17 -34.4 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 78' ' ' ILE . 35.4 mm -76.97 -30.45 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -54.96 19.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.762 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.41 -34.54 79.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 65.9 tp -70.22 -43.06 71.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 74' ' ' ILE . 2.8 tp -75.35 -17.24 15.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.347 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -78.5 -54.69 5.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -67.33 -28.91 68.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.759 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -66.75 -51.07 60.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.563 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.36 -56.2 24.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -52.63 -34.35 50.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.329 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -74.88 -45.14 44.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.967 0.413 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.8 mm? -57.97 -41.65 83.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.752 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.1 m -66.45 -40.01 89.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -52.04 -60.13 3.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.024 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.522 ' NE2' HD13 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -68.29 -20.33 64.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -72.99 -21.69 60.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.201 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.069 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.548 ' HA ' HG23 ' A' ' 37' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -119.51 122.49 41.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.0 mt -100.66 137.48 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.318 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' VAL . 2.4 m -152.0 118.24 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.773 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 136.59 11.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.344 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -84.62 109.47 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.4 t30 70.53 45.22 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.265 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.527 ' CG2' HG23 ' A' ' 43' ' ' VAL . 8.2 t -151.17 134.79 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.41 125.18 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.7 mm -76.64 97.14 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 p -96.98 144.95 26.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.733 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 3.3 mp0 -33.14 -55.22 0.4 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.3 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.45 78.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.18 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.83 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -55.62 -67.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.978 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -40.11 74.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 2.7 tt0 -62.07 -52.71 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.505 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE2' HD13 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -57.83 -45.12 86.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.225 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 16' ' ' LEU . 5.8 t -60.38 -49.48 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.023 0.439 . . . . 0.0 110.464 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -62.26 -30.02 70.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.292 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -54.12 -44.05 70.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.757 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.556 ' O ' HD13 ' A' ' 27' ' ' LEU . 17.7 mmtt -70.16 -55.0 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.58 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.558 ' HE2' HG11 ' A' ' 37' ' ' VAL . 4.1 m-85 -48.67 -51.77 26.71 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.057 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.67 51.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.911 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -26.78 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 23' ' ' LYS . 9.8 mp -82.04 -29.09 32.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.047 0.451 . . . . 0.0 110.689 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.92 -13.65 27.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.613 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.81 -57.99 4.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.716 0.293 . . . . 0.0 111.246 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.508 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -90.72 -11.76 38.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.808 -179.665 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.463 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 21.8 m-30 -106.13 119.53 39.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -107.92 -24.29 11.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -78.96 73.12 5.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.82 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.3 mt -143.04 123.48 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.0 -65.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -128.99 121.21 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -124.94 136.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -133.89 148.91 51.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.9 t -138.34 145.97 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 6' ' ' THR . 21.7 t -140.39 132.95 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.153 0.502 . . . . 0.0 111.131 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.836 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.75 127.65 37.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.057 -178.828 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -101.73 135.83 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.066 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.527 HG23 ' CG2' ' A' ' 10' ' ' VAL . 42.4 t -115.15 116.55 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 111.482 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -136.76 152.18 50.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.561 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -55.24 -19.63 8.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.809 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.7 t -84.69 -84.07 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 m -129.36 152.55 48.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.943 0.401 . . . . 0.0 111.416 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -96.29 133.39 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.396 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.3 m -127.03 138.75 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.939 0.4 . . . . 0.0 111.536 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.62 138.5 30.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.652 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.6 p30 -119.48 148.89 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.446 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -137.19 110.74 8.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 111.333 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.94 107.23 17.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.761 HD13 HD12 ' A' ' 81' ' ' LEU . 8.6 mp -98.33 144.68 27.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.902 0.382 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -105.52 138.64 41.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.985 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.524 HG11 ' CE1' ' A' ' 88' ' ' HIS . 21.7 t -131.58 156.33 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.035 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.444 ' N ' HG12 ' A' ' 56' ' ' VAL . 2.2 m120 -61.71 102.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.24 -15.35 62.32 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.882 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.88 157.95 26.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.671 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -139.59 124.96 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.755 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.551 HD11 ' CD2' ' A' ' 88' ' ' HIS . 3.5 mt -102.52 140.62 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -133.47 111.95 11.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.718 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.838 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -130.2 158.31 40.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.96 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -140.9 151.18 44.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.833 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -146.44 166.48 26.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.035 0.445 . . . . 0.0 111.359 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -137.79 159.82 40.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.642 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -160.09 171.27 36.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.663 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -61.73 -12.74 18.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -154.12 176.13 12.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.683 0.277 . . . . 0.0 110.664 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.576 ' HE1' HG12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -59.27 -52.63 64.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.953 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -59.65 -39.12 83.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.6 -55.81 27.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.264 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.44 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.385 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.576 HG12 ' HE1' ' A' ' 70' ' ' MET . 43.1 mm -77.88 -27.54 15.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -55.82 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.603 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.27 -33.18 81.8 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.437 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.833 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 17.6 tp -73.73 -45.9 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 74' ' ' ILE . 1.1 tp -67.97 -19.39 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.286 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -80.23 -48.36 13.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.411 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -65.54 -36.11 82.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.724 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -65.0 -51.89 59.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.58 4.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.868 0.366 . . . . 0.0 110.998 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -50.74 -32.49 19.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.3 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -74.95 -43.89 51.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 81' ' ' LEU . 3.0 mm? -61.69 -42.05 98.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.412 ' HA ' ' HG2' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -66.15 -41.56 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -61.37 2.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.914 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.551 ' CD2' HD11 ' A' ' 61' ' ' ILE . 2.6 p80 -67.13 -41.05 86.78 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -66.2 -17.51 64.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.629 0.252 . . . . 0.0 111.335 -179.573 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 120.922 0.391 . . . . 0.0 110.663 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.15 158.58 43.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.47 HD11 ' HB2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -125.75 153.69 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -135.68 162.89 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.234 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.92 125.55 2.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.951 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.1 p30 -96.33 116.13 28.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 5.7 t-20 85.44 -43.21 0.06 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.585 HG22 ' N ' ' A' ' 11' ' ' GLU . 10.5 p -95.64 167.59 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.585 ' N ' HG22 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -110.36 148.7 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.995 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.9 mm -80.73 102.87 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.4 p -94.75 142.55 27.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -36.86 -40.81 0.29 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.16 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -48.02 72.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.047 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.606 HD13 ' HG2' ' A' ' 70' ' ' MET . 20.2 tp -58.23 -60.18 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.661 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 5' ' ' ILE . 3.2 ptt180 -52.4 -41.14 62.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.749 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.2 mm-40 -63.47 -52.45 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -52.8 -49.25 66.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.3 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 16' ' ' LEU . 21.7 t -59.34 -44.66 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -71.21 -30.64 66.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.745 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.89 -44.74 82.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.491 ' O ' HD13 ' A' ' 27' ' ' LEU . 2.1 mmtt -72.12 -48.13 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.54 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CE1' HG11 ' A' ' 37' ' ' VAL . 1.7 m-85 -53.25 -46.37 69.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.631 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.41 71.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.766 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -28.24 67.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.468 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 82' ' ' ALA . 9.3 mp -84.32 -25.14 29.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.66 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.614 ' OE2' HD12 ' A' ' 34' ' ' ILE . 8.5 tp10 -65.95 -13.05 59.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.656 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -66.45 -49.76 65.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.714 0.292 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.51 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -101.64 2.51 38.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.859 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.533 ' HE2' HD23 ' A' ' 27' ' ' LEU . 22.0 m-30 -114.26 118.71 34.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.823 0.344 . . . . 0.0 111.007 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -108.52 -29.32 8.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.96 73.19 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.614 HD12 ' OE2' ' A' ' 28' ' ' GLU . 31.6 mt -144.3 116.66 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.07 -63.26 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.099 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.2 116.84 21.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.89 0.376 . . . . 0.0 111.26 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.501 HG11 ' CE1' ' A' ' 24' ' ' PHE . 20.4 t -124.86 133.05 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.11 137.19 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.992 0.425 . . . . 0.0 110.911 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 51' ' ' ASP . 22.2 t -130.83 145.16 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.182 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.474 ' C ' HD13 ' A' ' 41' ' ' LEU . 21.4 t -142.18 137.13 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.967 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.83 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.44 130.14 42.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.798 -179.027 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -101.38 133.93 45.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.359 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.418 HG21 ' HE2' ' A' ' 70' ' ' MET . 21.5 t -114.83 116.33 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -136.48 152.69 50.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.569 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -52.7 -20.02 2.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.918 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.2 t -86.55 -85.96 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.7 m -128.9 154.76 46.2 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.88 0.371 . . . . 0.0 111.474 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -98.87 135.17 40.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.5 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.5 m -129.63 142.93 50.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.875 0.369 . . . . 0.0 111.466 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.8 m -141.35 146.61 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.547 ' O ' HG13 ' A' ' 39' ' ' VAL . 2.3 p30 -128.26 143.52 51.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.698 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.915 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -139.01 110.35 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.973 0.416 . . . . 0.0 111.742 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.8 m -102.74 110.86 22.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.535 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.687 HD13 HD12 ' A' ' 81' ' ' LEU . 10.9 mp -97.09 145.91 25.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.942 0.401 . . . . 0.0 111.197 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.434 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 6.7 m-70 -108.36 138.13 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.887 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 59' ' ' GLY . 27.2 m -120.23 170.07 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -32.44 -54.18 0.33 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -141.51 41.36 1.24 Allowed Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.981 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.402 ' N ' HG23 ' A' ' 56' ' ' VAL . . . -158.89 168.49 35.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.348 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 14.6 mt-10 -136.5 116.37 13.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.974 0.416 . . . . 0.0 111.402 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.7 mt -103.72 139.16 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.417 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -134.04 111.99 10.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.608 0.242 . . . . 0.0 110.981 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.884 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -128.48 157.58 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.805 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.0 m -141.02 148.87 40.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.241 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -144.46 156.64 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 111.877 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.12 160.15 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.054 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' HA3' ' HB1' ' A' ' 72' ' ' ALA . . . -148.95 -67.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.205 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 179.73 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.53 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 1.5 p30 -140.65 176.68 8.59 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.779 0.323 . . . . 0.0 110.401 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.606 ' HG2' HD13 ' A' ' 16' ' ' LEU . 6.0 tpp -62.67 -23.12 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.418 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -90.95 -32.81 15.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.53 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -62.95 -49.87 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.029 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -31.2 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.0 mm -79.55 -24.49 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -52.82 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.733 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.92 -33.81 70.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.285 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.915 HD21 ' HB2' ' A' ' 52' ' ' ALA . 21.3 tp -68.75 -40.63 79.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.409 . . . . 0.0 110.652 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' A' ' 23' ' ' LYS . 38.2 mm -80.64 -13.71 12.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.114 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.21 -54.73 5.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.97 0.414 . . . . 0.0 110.491 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -68.06 -34.92 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.64 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.884 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -64.39 -48.56 74.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.928 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.552 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.82 -55.31 36.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.093 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -53.69 -32.73 52.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.401 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -76.85 -48.72 17.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.8 mm? -58.04 -42.78 86.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.838 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.7 m -66.37 -39.58 89.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -61.17 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.45 ' NE2' HD13 ' A' ' 85' ' ' LEU . 1.3 p80 -66.85 -26.68 67.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.188 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -19.91 63.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.284 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 111.0 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.567 HD11 HG23 ' A' ' 21' ' ' THR . 1.8 pt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.54 167.84 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 mt -126.55 153.61 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.659 ' O ' HG13 ' A' ' 40' ' ' VAL . 1.3 m -129.71 118.91 22.62 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.58 123.76 8.01 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.123 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -114.94 109.46 18.16 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 t30 70.52 30.28 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.362 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.475 HG11 HD23 ' A' ' 41' ' ' LEU . 9.7 p -151.64 135.64 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.832 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.04 119.54 23.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.153 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.98 99.28 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.678 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -97.71 146.2 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -38.36 -33.48 0.1 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.991 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.28 -48.41 34.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.752 HD21 ' SD ' ' A' ' 70' ' ' MET . 0.9 OUTLIER -57.96 -66.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -38.61 23.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -62.81 -43.22 99.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -55.71 -47.11 77.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.2 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -61.39 -48.43 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.567 HG23 HD11 ' A' ' 3' ' ' LEU . 2.0 m -68.16 -32.42 72.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.29 -43.45 78.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HB3' HG21 ' A' ' 78' ' ' ILE . 16.4 mmtt -70.21 -51.74 28.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.606 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.8 m-85 -52.25 -45.58 65.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.579 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.35 69.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.716 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -27.96 58.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.483 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 8.5 mp -82.29 -27.91 32.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.525 ' HG2' HD13 ' A' ' 34' ' ' ILE . 2.6 mm-40 -63.88 -13.08 42.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.597 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.76 -56.32 8.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.765 0.317 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.483 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -89.41 -24.66 21.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.299 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.511 ' CZ ' HG23 ' A' ' 86' ' ' THR . 21.2 m-30 -92.89 127.1 38.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.729 0.3 . . . . 0.0 110.582 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -105.3 -31.5 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.012 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.764 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -70.28 66.53 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.971 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.525 HD13 ' HG2' ' A' ' 28' ' ' GLU . 26.7 mt -138.15 109.79 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -123.57 -58.94 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.57 116.68 20.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.981 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.606 HG11 ' CE1' ' A' ' 24' ' ' PHE . 22.1 t -130.95 135.56 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.29 132.91 47.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.067 0.46 . . . . 0.0 110.936 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 51' ' ' ASP . 13.4 t -123.16 144.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.296 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 6' ' ' THR . 23.1 t -141.54 131.95 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.011 0.434 . . . . 0.0 110.825 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.866 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.2 128.41 39.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.977 -178.748 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -103.9 138.56 40.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.202 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.48 HG13 ' CE1' ' A' ' 48' ' ' HIS . 25.6 t -119.89 114.32 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -132.89 152.72 51.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.459 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -51.53 -20.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.001 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.72 -85.23 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.2 m -129.09 154.22 46.89 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 111.42 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.48 ' CE1' HG13 ' A' ' 43' ' ' VAL . 6.1 m-70 -99.38 136.62 39.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.612 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.4 m -127.19 136.14 51.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.251 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -137.62 148.4 45.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.737 ' O ' HG13 ' A' ' 39' ' ' VAL . 2.9 p30 -132.62 158.4 42.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.761 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -152.08 110.89 3.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.036 0.446 . . . . 0.0 111.615 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -103.82 109.14 20.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.752 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.55 HD13 HD12 ' A' ' 81' ' ' LEU . 7.7 mp -95.71 143.99 26.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.949 0.404 . . . . 0.0 110.975 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -101.72 136.06 42.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.764 HG13 ' HB3' ' A' ' 33' ' ' ARG . 22.0 t -135.35 146.36 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -59.32 105.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.769 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.73 -21.39 42.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.138 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.65 163.96 30.14 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.909 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -137.61 127.98 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.723 0.297 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mt -102.37 138.91 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -133.18 112.22 11.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.652 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.858 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -125.77 156.89 38.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.698 0.285 . . . . 0.0 111.248 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -140.78 147.07 38.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.319 179.532 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -144.53 164.57 30.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 111.394 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.7 162.17 36.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.533 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.01 174.67 39.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.73 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -16.93 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.498 ' OD1' ' HB2' ' A' ' 72' ' ' ALA . 6.2 p-10 -153.41 174.32 14.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 110.6 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.752 ' SD ' HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -60.52 -53.33 58.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.934 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.613 ' CE1' HD22 ' A' ' 16' ' ' LEU . 58.4 m-85 -58.24 -40.01 80.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB2' ' OD1' ' A' ' 69' ' ' ASP . . . -55.82 -53.47 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.88 -34.54 55.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.311 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.49 -29.81 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -68.62 -53.47 22.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.787 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.29 -31.72 68.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.398 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.761 HD11 ' HB3' ' A' ' 52' ' ' ALA . 3.2 tm? -69.19 -41.54 77.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.471 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 23' ' ' LYS . 43.0 mm -79.99 -14.81 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.83 -55.95 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 110.62 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -32.47 73.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.708 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.858 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -63.84 -48.28 77.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.814 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -55.87 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -52.7 -33.91 49.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.299 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -45.68 39.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.77 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 88' ' ' HIS . 0.6 OUTLIER -59.59 -41.0 89.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.84 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -66.54 -40.53 89.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -54.82 42.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.828 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.461 ' CD2' ' HA ' ' A' ' 85' ' ' LEU . 2.9 p80 -72.37 -42.17 65.57 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.458 ' CG ' ' HA ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -63.38 -17.31 62.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.508 -179.494 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.789 0.328 . . . . 0.0 111.022 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.613 HD21 HG23 ' A' ' 21' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.46 0.057 0 CA-C-O 120.793 0.33 . . . . 0.0 111.095 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -121.93 128.27 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.739 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.1 mt -102.0 137.62 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.468 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 2.8 m -151.85 118.31 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.753 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.0 136.73 10.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.17 -1.014 . . . . 0.0 113.489 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -84.45 109.73 18.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 t30 71.57 44.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.073 0.463 . . . . 0.0 110.191 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 43' ' ' VAL . 16.6 t -151.57 135.61 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.74 126.01 36.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -79.33 98.41 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.8 p -103.46 153.87 20.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -33.01 -53.99 0.37 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.256 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.24 82.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.709 HD21 ' SD ' ' A' ' 70' ' ' MET . 0.1 OUTLIER -56.99 -55.27 36.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.3 ptp180 -61.39 -42.46 98.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 3.8 mm-40 -61.93 -55.52 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -45.77 -53.77 9.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.828 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 16' ' ' LEU . 13.1 t -61.48 -53.09 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.264 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.613 HG23 HD21 ' A' ' 3' ' ' LEU . 38.8 m -60.03 -31.09 69.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.18 89.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.856 ' HB3' HG21 ' A' ' 78' ' ' ILE . 10.8 mmtt -67.26 -55.23 14.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.83 -47.94 60.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.04 47.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.0 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -28.47 41.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD23 ' HE2' ' A' ' 31' ' ' PHE . 7.9 mp -81.32 -29.74 34.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.34 -14.64 41.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.635 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.14 -59.48 2.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.342 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.47 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.1 p90 -87.63 2.39 51.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.94 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.629 ' CB ' HD11 ' A' ' 34' ' ' ILE . 15.3 m-30 -116.13 118.29 32.44 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.656 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.81 4.12 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.556 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.33 62.18 0.63 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 111.092 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.629 HD11 ' CB ' ' A' ' 31' ' ' PHE . 4.4 mt -128.97 123.64 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -121.99 -62.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.104 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -128.87 118.25 22.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -127.84 136.27 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -134.23 148.9 50.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.997 0.427 . . . . 0.0 111.076 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.9 t -136.33 145.75 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.15 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 6' ' ' THR . 20.6 t -142.67 131.35 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 111.144 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.848 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.64 129.16 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.979 -178.847 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -100.83 137.96 38.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.097 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.483 HG23 ' CG2' ' A' ' 10' ' ' VAL . 40.1 t -117.5 110.31 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.473 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -130.27 152.33 49.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.425 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -20.73 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.819 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -84.5 -84.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.7 m -129.49 152.6 48.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.865 0.364 . . . . 0.0 111.447 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -97.23 132.05 43.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.241 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.4 m -125.68 139.57 53.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.571 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.409 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 8.9 m -140.36 139.39 35.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.766 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -119.1 145.63 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.04 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.861 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -133.52 110.99 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.321 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.4 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 4.5 m -110.66 106.11 15.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.704 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.642 HD13 HD12 ' A' ' 81' ' ' LEU . 6.1 mp -100.02 145.7 27.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -94.35 125.02 38.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.826 HG13 ' CE1' ' A' ' 88' ' ' HIS . 2.1 t -105.65 168.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.777 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.533 ' H ' HG12 ' A' ' 56' ' ' VAL . 8.7 m120 -47.06 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.192 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.47 29.19 9.3 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.508 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -165.43 174.87 41.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -140.31 130.31 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -102.14 137.95 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.0 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -133.52 112.3 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.833 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -128.18 159.89 33.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.823 0.344 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 m -140.61 120.23 13.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.329 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -111.9 143.53 42.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.013 0.435 . . . . 0.0 111.441 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.23 149.23 30.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.565 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.48 159.05 27.96 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.705 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.51 -16.11 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.533 0.206 . . . . 0.0 111.46 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.61 167.73 26.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.745 0.307 . . . . 0.0 110.816 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.709 ' SD ' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.95 -19.79 53.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.212 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -86.8 -38.23 17.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.758 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.87 94.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -54.29 -38.26 65.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.315 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.9 mm -73.93 -35.11 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -56.75 17.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.693 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.48 -26.82 73.55 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.288 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.861 HD11 ' HB3' ' A' ' 52' ' ' ALA . 13.5 tp -69.47 -44.65 70.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.066 0.46 . . . . 0.0 110.843 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' A' ' 23' ' ' LYS . 49.9 mm -80.15 -14.64 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.109 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.9 -58.25 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.314 . . . . 0.0 110.434 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -32.86 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.737 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -63.23 -47.79 81.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.816 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.528 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -57.85 -57.64 11.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -50.2 -33.62 19.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -75.63 -44.88 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.608 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.451 ' HA ' ' CD2' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -58.84 -44.48 90.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.772 179.759 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.9 m -63.09 -41.42 99.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -52.21 -54.14 34.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.826 ' CE1' HG13 ' A' ' 56' ' ' VAL . 2.3 p80 -73.93 -16.82 61.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.304 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -24.83 58.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.323 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.289 -179.814 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -142.21 159.95 41.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.54 HD11 ' HB3' ' A' ' 17' ' ' ARG . 1.1 pt -131.88 154.07 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.772 ' O ' HG13 ' A' ' 40' ' ' VAL . 89.6 m -139.2 118.57 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.852 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.692 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -100.39 130.34 10.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.976 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 8' ' ' ASN . 3.0 p30 -107.89 109.96 21.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 110.519 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.8 t30 72.21 34.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.667 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.83 HG21 ' CE ' ' A' ' 70' ' ' MET . 10.8 p -152.03 135.62 8.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.936 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.28 119.58 17.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.692 HD11 ' HA3' ' A' ' 7' ' ' GLY . 24.6 mm -82.5 93.84 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -98.14 145.56 26.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -36.95 -43.69 0.47 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.32 -45.12 76.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.987 0.422 . . . . 0.0 111.067 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.831 ' O ' HG23 ' A' ' 20' ' ' VAL . 10.4 tp -55.83 -67.77 0.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.915 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HB3' HD11 ' A' ' 5' ' ' ILE . 6.8 ptm180 -52.1 -39.52 59.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.745 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -64.01 -55.21 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.452 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.702 ' HE2' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.44 -45.9 90.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.334 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 16' ' ' LEU . 5.5 t -63.52 -51.88 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 110.608 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.8 m -62.83 -38.21 89.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.402 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.89 -40.09 63.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HB3' HG21 ' A' ' 78' ' ' ILE . 5.5 mmtt -67.37 -54.19 22.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.31 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.729 ' CE1' HG11 ' A' ' 37' ' ' VAL . 3.3 m-85 -52.19 -44.17 64.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.499 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.03 -52.63 62.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.707 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.71 -28.09 20.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.745 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 82' ' ' ALA . 6.7 mp -81.81 -29.83 32.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.41 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.12 -13.99 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.524 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -72.05 -53.6 12.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.2 p90 -93.52 -24.23 18.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.398 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.743 ' HB3' HD11 ' A' ' 34' ' ' ILE . 21.3 m-30 -101.21 118.79 37.68 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.678 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.22 -1.38 20.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.391 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.63 ' O ' HG12 ' A' ' 56' ' ' VAL . 11.3 mtt-85 -90.45 50.74 1.88 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.743 HD11 ' HB3' ' A' ' 31' ' ' PHE . 3.5 mp -139.0 113.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -113.32 -56.12 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -126.32 116.76 21.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.729 HG11 ' CE1' ' A' ' 24' ' ' PHE . 18.9 t -122.05 134.08 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.4 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -128.9 125.66 38.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 51' ' ' ASP . 6.7 t -122.3 146.76 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.525 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.772 HG13 ' O ' ' A' ' 6' ' ' THR . 21.3 t -141.81 134.27 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.21 0.529 . . . . 0.0 110.793 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.848 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.32 129.37 41.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.801 -178.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -108.27 137.12 46.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -117.65 116.92 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.242 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -136.63 152.97 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.676 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -53.64 -17.4 2.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.13 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -85.53 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.0 m -128.9 153.73 47.21 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.864 0.364 . . . . 0.0 111.45 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -95.82 140.19 30.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 m -128.1 131.69 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 111.48 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -134.17 143.16 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.571 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.676 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.1 p30 -133.4 149.77 51.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.803 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.783 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -147.48 110.96 4.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.04 0.448 . . . . 0.0 111.689 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.408 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.9 m -103.18 111.89 24.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.719 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.817 HD13 HD12 ' A' ' 81' ' ' LEU . 5.2 mp -100.1 145.91 27.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 111.211 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.441 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 14.2 m-70 -105.2 135.91 45.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.779 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 33' ' ' ARG . 20.7 m -140.86 117.49 7.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.251 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m120 39.77 -94.89 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.824 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.47 33.11 4.43 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.7 158.44 27.06 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.213 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 1.9 mp0 -137.93 118.93 14.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 0.0 111.213 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 mp -102.22 141.86 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.507 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -132.73 112.16 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.701 0.286 . . . . 0.0 111.112 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.904 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -123.48 148.9 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.834 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.4 m -141.53 126.98 18.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.472 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -121.92 164.96 16.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.995 0.426 . . . . 0.0 111.409 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.18 148.57 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.395 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.77 156.77 27.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.688 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -56.76 -17.34 8.76 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.99 173.17 14.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.817 0.341 . . . . 0.0 110.827 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.83 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -63.88 -17.86 63.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.453 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -90.31 -38.16 13.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.933 0.397 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.05 79.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.87 -33.77 62.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.411 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 50.2 mm -79.69 -29.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -65.25 -54.76 24.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.556 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.11 -35.34 83.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.571 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.783 HD11 ' HB3' ' A' ' 52' ' ' ALA . 2.1 tm? -69.55 -41.93 75.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 110.743 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.455 HG21 ' HB3' ' A' ' 23' ' ' LYS . 30.7 mm -75.33 -17.31 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -78.17 -53.51 7.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.33 . . . . 0.0 110.719 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 65' ' ' ALA . 7.9 ptpt -68.61 -31.21 70.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.904 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -64.89 -48.82 72.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.509 179.616 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.592 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.06 -56.87 15.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.75 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -51.31 -32.03 23.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -72.45 -39.46 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.531 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 81' ' ' LEU . 1.7 mp -60.84 -40.71 93.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.627 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.492 HG23 ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -65.6 -39.28 91.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.684 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -61.41 2.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.234 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.46 ' CE1' ' HD2' ' A' ' 33' ' ' ARG . 2.4 p80 -69.43 -20.1 63.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.442 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -18.9 44.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.319 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.031 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.727 HD11 HG23 ' A' ' 21' ' ' THR . 2.6 pt? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.62 156.92 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.7 mt -120.6 151.23 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.634 ' O ' HG13 ' A' ' 40' ' ' VAL . 4.0 m -151.68 118.61 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . -114.53 139.28 15.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.246 -0.978 . . . . 0.0 113.518 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -98.6 109.59 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 110.257 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.0 t30 72.62 38.13 0.81 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.716 HG11 HD23 ' A' ' 41' ' ' LEU . 8.7 p -152.01 136.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.94 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -86.97 125.79 34.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 111.202 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.0 mm -89.3 101.25 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.417 ' OG1' HD23 ' A' ' 16' ' ' LEU . 16.5 p -99.91 150.22 22.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -34.51 -44.38 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.65 73.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.707 HD12 ' HE3' ' A' ' 70' ' ' MET . 3.5 mm? -59.89 -56.0 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -58.91 -43.63 91.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -60.74 -46.94 88.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 71' ' ' TYR . 29.3 t80 -51.65 -48.17 63.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.39 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 t -62.41 -52.99 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.727 HG23 HD11 ' A' ' 3' ' ' LEU . 2.1 m -63.34 -29.73 70.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.044 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -46.02 91.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.178 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.615 ' HB3' HG21 ' A' ' 78' ' ' ILE . 42.5 mmtt -66.39 -52.47 46.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.668 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.72 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 2.6 m-85 -51.26 -44.75 61.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.59 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.14 -55.25 25.59 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.908 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.92 -28.09 21.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 6.4 mp -80.52 -28.47 37.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.061 0.457 . . . . 0.0 110.58 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -14.01 25.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.467 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -72.19 -55.1 7.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.1 p90 -91.9 -26.41 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.396 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.79 ' HB3' HD11 ' A' ' 34' ' ' ILE . 20.7 m-30 -98.85 118.6 35.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.932 0.396 . . . . 0.0 110.697 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -108.43 -12.49 15.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.305 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.934 ' HB3' HG23 ' A' ' 56' ' ' VAL . 1.1 mmp_? -81.9 58.52 3.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.917 0.389 . . . . 0.0 111.079 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.79 HD11 ' HB3' ' A' ' 31' ' ' PHE . 3.7 mp -140.88 115.42 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.006 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -117.25 -56.42 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.741 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.27 116.52 21.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.72 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 4.6 t -125.54 134.77 65.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -129.96 129.82 44.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 179.514 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.45 147.19 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.439 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 6' ' ' THR . 21.8 t -143.55 130.49 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.208 0.528 . . . . 0.0 110.671 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.871 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.41 129.7 41.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.747 -178.721 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -105.29 131.58 52.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.29 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.44 HG23 ' HB ' ' A' ' 10' ' ' VAL . 22.0 t -114.64 114.17 45.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.419 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 47' ' ' THR . 8.1 pt-20 -135.9 152.45 51.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.567 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -54.51 -19.77 6.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.824 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -83.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 1.2 m -129.09 151.76 49.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.947 0.403 . . . . 0.0 111.465 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 22.9 m-70 -99.93 133.45 44.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.258 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.8 m -128.99 140.15 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.105 0.478 . . . . 0.0 111.829 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.655 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 18.3 p -134.81 144.45 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.492 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 3.0 p30 -136.0 150.93 49.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.865 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.813 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -148.94 116.04 6.06 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.257 0.551 . . . . 0.0 111.736 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.446 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 10.6 m -102.25 111.34 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.444 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.631 ' CD2' HD11 ' A' ' 85' ' ' LEU . 7.0 mp -101.03 146.12 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.032 0.444 . . . . 0.0 111.36 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.428 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 18.7 m-70 -105.97 136.9 44.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.753 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.934 HG23 ' HB3' ' A' ' 33' ' ' ARG . 8.2 p -140.81 117.45 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.399 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 39.65 -95.07 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.945 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -119.12 33.43 4.72 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.655 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.99 161.4 28.57 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.187 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 3.5 mt-10 -140.12 122.8 16.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mt -102.04 141.36 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -133.35 111.86 11.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.981 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -123.76 155.19 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.651 0.262 . . . . 0.0 111.158 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 77.7 p -141.17 118.06 11.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.355 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.766 ' N ' HD23 ' A' ' 77' ' ' LEU . . . -115.32 157.56 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 111.562 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -136.3 160.85 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.485 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.25 -107.55 0.49 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.384 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -131.62 -16.83 2.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.641 0.258 . . . . 0.0 111.145 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.432 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 5.9 p-10 -157.85 176.95 11.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.301 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.707 ' HE3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -53.18 -57.54 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.688 0.28 . . . . 0.0 111.175 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -53.88 -43.3 69.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.423 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.432 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -60.83 -48.51 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.337 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.655 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -52.25 -32.75 38.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.57 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.5 mm -71.4 -50.55 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.46 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -51.18 -53.74 32.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.583 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.97 -46.46 94.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.801 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 52' ' ' ALA . 1.7 tm? -62.14 -41.41 98.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.742 0.306 . . . . 0.0 111.296 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.615 HG21 ' HB3' ' A' ' 23' ' ' LYS . 39.1 mm -69.5 -19.71 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 111.145 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -76.7 -54.3 6.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 0.0 110.534 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -62.98 -40.35 97.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.785 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.981 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -59.45 -47.85 83.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.977 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -54.98 -63.1 1.26 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.876 0.369 . . . . 0.0 111.015 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 mmm-85 -49.61 -30.71 9.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -73.01 -39.42 66.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.644 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.832 HD12 ' O ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -60.69 -42.51 97.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.796 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.0 m -65.32 -39.07 91.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.721 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -54.66 -61.87 2.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.286 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.619 ' CE1' HG21 ' A' ' 56' ' ' VAL . 2.3 p80 -67.68 -24.86 65.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.407 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -75.78 -15.56 60.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.251 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 111.04 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.672 ' CD1' HG23 ' A' ' 21' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -132.09 138.34 48.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.69 153.01 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.815 ' O ' HG13 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -134.26 118.95 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.056 179.432 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.795 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -98.97 123.99 8.08 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.993 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.497 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 10.5 p30 -107.04 111.62 24.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.427 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.4 t30 65.21 37.63 6.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.673 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.78 HG21 ' CE ' ' A' ' 70' ' ' MET . 9.3 p -151.46 133.83 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.87 116.71 13.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.795 HD11 ' HA3' ' A' ' 7' ' ' GLY . 26.0 mm -80.31 94.04 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.78 141.89 28.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.713 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.06 -38.3 0.32 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.091 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -46.64 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.486 HD11 ' HE3' ' A' ' 70' ' ' MET . 3.8 tp -56.84 -68.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 5.7 ptt-85 -47.47 -38.05 12.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.1 mt-10 -61.17 -47.49 85.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -54.55 -46.78 73.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 t -62.14 -52.82 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.672 HG23 ' CD1' ' A' ' 3' ' ' LEU . 1.5 m -63.25 -31.3 72.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.62 91.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.584 ' HB3' HG21 ' A' ' 78' ' ' ILE . 26.2 mmtt -65.61 -54.03 33.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.592 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -51.8 -44.37 63.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.701 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.32 -54.65 33.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -54.03 -28.19 36.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 23' ' ' LYS . 8.9 mp -82.57 -27.92 31.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.643 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -13.78 46.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.623 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -68.46 -58.28 4.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.863 0.364 . . . . 0.0 110.961 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 1.3 p90 -86.57 -12.41 48.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.494 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CB ' HD11 ' A' ' 34' ' ' ILE . 18.2 m-30 -103.72 119.94 39.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.703 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -107.67 -27.3 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -78.44 65.89 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.567 HD11 ' CB ' ' A' ' 31' ' ' PHE . 28.6 mt -138.89 123.22 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -124.7 -57.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.162 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -129.03 117.1 20.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.913 0.387 . . . . 0.0 111.004 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -123.66 136.08 61.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.78 137.69 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.981 0.42 . . . . 0.0 110.983 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.701 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.1 t -135.96 146.16 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.096 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 6' ' ' THR . 21.5 t -143.84 137.12 24.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.166 0.508 . . . . 0.0 111.106 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.805 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.37 130.98 43.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.901 -179.087 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 8.5 ttpt -102.79 134.81 45.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.107 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.1 t -115.39 116.39 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.608 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.79 152.27 50.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.511 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.05 -21.11 4.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.813 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.1 t -84.63 -84.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -129.53 154.26 47.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.036 0.446 . . . . 0.0 111.398 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 69' ' ' ASP . 7.5 m-70 -101.88 134.09 45.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.32 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.7 m -129.2 142.13 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.03 0.443 . . . . 0.0 111.614 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -137.86 145.14 41.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.784 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.701 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.0 p30 -122.98 147.27 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.08 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.795 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -132.81 141.03 48.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.255 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.715 HG23 ' CG ' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -140.47 105.99 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.956 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.753 HD13 HD21 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -100.37 143.66 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 111.048 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -104.09 138.05 41.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.421 HG13 ' CB ' ' A' ' 33' ' ' ARG . 9.6 t -135.74 153.13 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.68 106.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.67 -22.21 40.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.918 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.89 163.13 29.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.738 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -140.4 132.0 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.66 0.267 . . . . 0.0 110.828 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 mp -101.49 137.69 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.09 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.715 ' CG ' HG23 ' A' ' 53' ' ' THR . 0.9 OUTLIER -133.89 112.06 10.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.497 179.338 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -140.81 166.14 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.252 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 m -140.64 150.32 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.157 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HB3' ' CA ' ' A' ' 77' ' ' LEU . . . -141.74 154.53 45.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.101 0.477 . . . . 0.0 111.635 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -138.24 162.6 33.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.429 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.82 -99.74 0.23 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.606 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.532 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 32.8 tt0 -139.69 -21.7 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.439 ' HA ' ' CG ' ' A' ' 48' ' ' HIS . 3.7 p-10 -153.63 176.59 11.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.712 0.291 . . . . 0.0 110.596 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.78 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -58.01 -23.3 53.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.498 -179.693 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -85.19 -41.53 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.024 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.532 ' HB3' ' H ' ' A' ' 68' ' ' GLN . . . -68.69 -39.48 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.43 73.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.1 mm -75.66 -31.29 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.776 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -55.15 29.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.701 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.46 -29.07 71.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.364 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.795 HD11 ' CB ' ' A' ' 52' ' ' ALA . 16.4 tp -68.03 -42.97 79.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.625 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.584 HG21 ' HB3' ' A' ' 23' ' ' LYS . 46.8 mm -79.95 -15.7 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.106 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.58 -59.03 2.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.446 ' HE2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -65.81 -35.95 82.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.638 HD12 HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -61.18 -49.68 76.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.752 179.702 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -54.6 -58.78 6.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.051 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -49.7 -32.21 12.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.77 -45.87 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.753 HD21 HD13 ' A' ' 54' ' ' LEU . 3.0 mm? -59.1 -43.99 91.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.95 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.562 HG23 ' CE1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -67.03 -41.47 86.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.287 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -53.03 -64.61 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.451 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.407 ' CG ' ' N ' ' A' ' 89' ' ' LYS . 5.0 p80 -62.04 -42.59 99.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.074 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 88' ' ' HIS . 0.8 OUTLIER -58.86 -20.31 49.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.279 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.868 0.366 . . . . 0.0 110.816 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.691 0.281 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -145.31 164.96 29.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.53 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -129.98 153.73 39.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.85 ' O ' HG13 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -134.45 119.01 18.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.307 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.425 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -101.74 120.14 6.74 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.968 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -104.44 111.71 24.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 0.0 110.433 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 68.39 33.42 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.53 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.766 HG21 ' CE ' ' A' ' 70' ' ' MET . 9.6 p -151.35 134.33 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.15 116.9 18.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.425 HD11 ' HA3' ' A' ' 7' ' ' GLY . 25.3 mm -72.83 94.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -91.46 134.63 34.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.621 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -37.34 -35.53 0.12 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.071 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -47.21 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.172 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.492 HD21 ' HG2' ' A' ' 70' ' ' MET . 0.2 OUTLIER -59.41 -57.19 14.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 2.3 ptm180 -55.84 -42.38 75.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 1.2 mm-40 -58.53 -45.01 89.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -57.43 -44.71 84.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 16' ' ' LEU . 20.1 t -61.56 -53.13 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 m -63.03 -30.32 71.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.98 86.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.602 ' HB3' HG21 ' A' ' 78' ' ' ILE . 9.5 mmtt -67.42 -51.05 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.726 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.7 m-85 -51.93 -46.59 64.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.37 -51.98 55.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.622 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.13 -29.13 43.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 8.1 mp -78.61 -32.24 47.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.457 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -14.94 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.636 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -72.71 -53.0 12.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.733 0.302 . . . . 0.0 110.967 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.9 p90 -95.46 -23.96 16.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.412 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 85' ' ' LEU . 12.0 m-85 -99.14 118.86 36.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.74 -27.74 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -70.48 66.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.1 mt -139.46 111.88 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.95 -58.91 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.84 116.53 21.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.837 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.726 HG11 ' CE1' ' A' ' 24' ' ' PHE . 11.6 t -127.37 134.47 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.63 132.87 46.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.704 179.457 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 51' ' ' ASP . 17.2 t -127.26 145.22 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.371 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.85 HG13 ' O ' ' A' ' 6' ' ' THR . 26.6 t -142.82 136.13 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.854 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.29 128.77 40.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.704 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -106.58 141.04 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.516 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.8 t -120.17 113.66 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.366 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 47' ' ' THR . 8.4 pt-20 -132.72 152.74 51.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.561 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -20.37 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.157 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.2 t -88.24 -84.8 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.418 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 13.1 t -130.09 154.08 47.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.976 0.417 . . . . 0.0 111.582 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -94.71 138.1 32.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.231 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.1 m -126.87 130.67 50.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.937 0.399 . . . . 0.0 111.566 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.0 p -130.08 145.32 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.458 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.543 ' O ' HG13 ' A' ' 39' ' ' VAL . 7.4 p30 -127.98 143.04 51.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.18 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.859 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -135.22 110.82 9.2 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.451 HG23 ' CG ' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -112.07 108.2 17.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.112 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.643 HD22 HD11 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -99.21 145.44 27.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -101.0 133.49 45.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 57' ' ' ASN . 21.6 t -132.94 154.56 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.409 ' N ' HG12 ' A' ' 56' ' ' VAL . 79.4 m-20 -69.09 103.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.16 -20.38 30.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.666 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.49 170.93 36.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.606 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -140.56 134.95 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.648 0.261 . . . . 0.0 110.598 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.408 HD11 HG21 ' A' ' 56' ' ' VAL . 3.0 mp -101.83 136.66 32.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 111.2 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.451 ' CG ' HG23 ' A' ' 53' ' ' THR . 3.8 t-160 -133.57 112.56 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.507 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.717 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -137.43 164.12 29.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.876 0.37 . . . . 0.0 111.322 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.7 p -140.61 153.17 45.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.404 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -143.69 134.02 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 111.488 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -104.95 155.44 18.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.585 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.68 167.16 33.57 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.664 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -61.96 -14.76 38.05 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.703 0.261 . . . . 0.0 111.703 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -156.84 176.01 13.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.766 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -63.62 -17.13 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.33 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -87.6 -40.31 14.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.829 0.347 . . . . 0.0 110.804 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.34 92.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.22 -39.64 66.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.0 mm -72.6 -32.52 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.898 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -56.45 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.09 -22.09 78.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.247 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.859 HD11 ' CB ' ' A' ' 52' ' ' ALA . 13.3 tp -73.94 -45.65 49.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.701 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.602 HG21 ' HB3' ' A' ' 23' ' ' LYS . 49.8 mm -79.06 -15.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.09 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.83 -57.22 3.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 110.536 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -65.64 -33.32 75.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -65.36 -47.54 76.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.019 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.68 -56.52 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 111.001 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -51.06 -35.87 36.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.357 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -74.01 -44.48 54.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 110.38 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.643 HD11 HD22 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -57.79 -43.04 85.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.485 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.24 99.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.744 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -51.11 -53.45 34.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.77 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.467 ' CD2' ' HA ' ' A' ' 85' ' ' LEU . 2.6 p80 -75.45 -20.92 58.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -26.03 67.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.07 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -139.51 154.6 47.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.3 mt -117.82 149.43 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.308 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 3.0 m -151.72 118.28 5.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.736 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.43 136.59 12.95 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.511 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -90.53 109.34 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 70.51 41.61 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.528 ' CG2' HG23 ' A' ' 43' ' ' VAL . 6.0 t -151.22 134.54 7.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -88.74 124.27 33.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.966 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -71.77 109.95 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.8 p -114.09 144.93 42.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -33.25 -51.95 0.35 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.33 85.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -56.03 -53.68 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.851 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -67.46 -41.48 84.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.788 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.58 -55.86 23.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.456 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -51.2 -48.78 61.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.088 -179.346 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 16' ' ' LEU . 24.6 t -60.65 -52.57 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.21 0.529 . . . . 0.0 110.364 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -59.85 -23.59 63.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.619 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -55.74 -45.69 77.96 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.792 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.855 ' O ' HD13 ' A' ' 27' ' ' LEU . 15.0 mmtm -72.55 -43.15 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.945 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.587 ' CE1' HG11 ' A' ' 37' ' ' VAL . 5.4 m-85 -62.67 -13.44 32.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.101 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.26 -54.36 5.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.949 0.404 . . . . 0.0 110.32 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -68.0 -15.98 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.942 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.855 HD13 ' O ' ' A' ' 23' ' ' LYS . 10.6 mp -87.58 -37.14 17.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.526 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.28 -15.72 17.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.35 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -55.92 8.58 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.597 0.237 . . . . 0.0 111.16 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.4 p90 -90.22 -23.37 21.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.507 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 18.5 m-30 -93.47 118.79 31.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.806 0.336 . . . . 0.0 110.649 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.08 -31.69 9.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.72 69.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.9 mt -141.08 111.16 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -120.99 -56.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.722 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -127.5 116.55 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.769 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.587 HG11 ' CE1' ' A' ' 24' ' ' PHE . 2.9 t -124.24 135.8 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.486 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.54 129.8 41.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.095 0.474 . . . . 0.0 110.948 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.7 t -119.27 146.92 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.032 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.48 ' C ' HD13 ' A' ' 41' ' ' LEU . 21.4 t -144.54 131.13 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-O 121.301 0.572 . . . . 0.0 111.082 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.883 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.51 129.29 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.67 -178.88 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -107.1 138.27 43.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.326 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.62 HG22 ' CE ' ' A' ' 70' ' ' MET . 39.9 t -117.65 117.66 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.255 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -136.69 152.73 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.655 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -17.59 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.947 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -84.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 m -129.1 152.72 48.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 111.577 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -94.52 137.61 33.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.353 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.4 m -130.94 134.67 46.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.056 0.455 . . . . 0.0 111.719 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.637 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 87.7 p -134.22 147.64 50.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.547 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -136.48 145.25 44.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.444 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -141.17 111.22 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.988 0.423 . . . . 0.0 111.42 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.421 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 4.4 m -105.01 112.04 25.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.51 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.686 HD13 ' CD2' ' A' ' 81' ' ' LEU . 7.1 mp -99.8 145.73 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.928 0.394 . . . . 0.0 111.287 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -94.25 129.09 41.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG12 ' H ' ' A' ' 57' ' ' ASN . 2.7 t -105.55 166.29 3.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.485 ' H ' HG12 ' A' ' 56' ' ' VAL . 52.7 m-20 -46.63 -71.06 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.09 30.46 8.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.246 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.73 177.34 42.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.377 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.59 128.41 21.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.73 0.3 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.527 HD11 ' NE2' ' A' ' 88' ' ' HIS . 14.3 mt -102.09 141.7 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.411 ' CE1' ' HG1' ' A' ' 53' ' ' THR . 1.4 t-80 -133.61 112.48 11.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.828 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.32 149.15 42.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.2 p -142.27 126.34 17.35 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.854 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -136.88 168.6 19.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.307 0.575 . . . . 0.0 112.331 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.2 167.18 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.864 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -154.36 -64.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.183 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -178.04 -20.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -145.99 176.55 9.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.76 0.314 . . . . 0.0 110.522 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.657 ' HG2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.62 -21.55 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.316 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -90.41 -37.75 13.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.205 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.69 78.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.442 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.637 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -53.49 -36.7 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.433 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 78' ' ' ILE . 47.5 mm -77.89 -27.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -56.69 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.49 -34.06 86.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.412 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 81' ' ' LEU . 23.5 tp -73.06 -48.75 33.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.083 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 74' ' ' ILE . 1.6 tp -65.25 -19.33 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.291 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.63 -47.67 16.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.024 0.44 . . . . 0.0 110.014 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -64.87 -32.68 74.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.639 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -66.37 -50.93 61.86 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.222 179.8 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.27 -58.73 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -32.3 50.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.45 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -75.65 -46.74 29.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.082 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 81' ' ' LEU . 3.4 mm? -57.0 -44.17 82.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -67.83 -39.47 83.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.776 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -54.56 -63.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.527 ' NE2' HD11 ' A' ' 61' ' ' ILE . 3.1 p80 -67.88 -17.17 64.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 27.4 tttp -80.36 -16.28 54.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.025 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.0 110.487 179.578 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.549 HD11 HG23 ' A' ' 21' ' ' THR . 1.4 pt? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.692 0.282 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -142.26 159.44 42.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.977 0.417 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.523 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.1 pt -131.5 154.1 39.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.748 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.654 ' O ' HG13 ' A' ' 40' ' ' VAL . 1.5 m -134.88 118.89 17.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.229 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -102.03 123.35 7.85 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.784 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.5 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 8.5 p30 -100.71 110.31 22.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.609 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 65.56 39.29 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.688 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.544 HG21 ' CE ' ' A' ' 70' ' ' MET . 10.6 p -151.09 133.94 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.07 114.86 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.577 HD11 ' HA3' ' A' ' 7' ' ' GLY . 27.6 mm -76.07 94.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p -92.52 137.49 32.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.676 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.73 -32.55 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.959 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.89 -48.08 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.608 HD21 ' HG2' ' A' ' 70' ' ' MET . 0.2 OUTLIER -59.47 -62.5 1.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HB2' HD11 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -51.4 -40.55 59.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -61.61 -42.86 99.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CZ ' ' HE3' ' A' ' 23' ' ' LYS . 70.3 t80 -54.68 -46.43 74.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.66 -48.92 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.549 HG23 HD11 ' A' ' 3' ' ' LEU . 1.8 m -66.69 -30.13 70.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.684 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.65 89.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 46.7 mmtt -66.36 -51.51 56.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.531 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.849 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.9 m-85 -53.23 -45.06 68.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.62 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.97 -53.41 50.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -28.52 51.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.722 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD23 ' HE2' ' A' ' 31' ' ' PHE . 5.4 mp -81.94 -27.57 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.571 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.96 -13.92 40.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.658 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -68.91 -56.38 8.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.446 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.4 p90 -88.97 -21.49 23.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.423 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.591 ' HE2' HD23 ' A' ' 27' ' ' LEU . 19.3 m-30 -97.63 118.95 35.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 110.656 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -106.13 -26.28 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.028 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' CB ' HG13 ' A' ' 56' ' ' VAL . 20.7 mmt180 -75.4 64.38 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.409 HD11 ' CB ' ' A' ' 31' ' ' PHE . 25.3 mt -139.15 117.21 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -118.85 -58.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.06 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.49 117.07 21.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 111.035 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.849 HG11 ' CE1' ' A' ' 24' ' ' PHE . 5.9 t -121.89 134.1 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.0 135.53 47.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 110.78 179.425 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' A' ' 5' ' ' ILE . 16.1 t -128.32 146.74 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.252 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 6' ' ' THR . 20.4 t -146.62 130.31 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.77 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.836 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.54 132.99 44.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.807 -178.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.5 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 28.4 ttpt -103.08 137.62 41.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.201 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.491 HG13 ' CE1' ' A' ' 48' ' ' HIS . 21.7 t -115.84 117.16 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.257 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -136.74 152.51 50.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.484 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -53.34 -20.02 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.863 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -85.91 -84.57 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -129.56 154.22 47.27 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.951 0.405 . . . . 0.0 111.482 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.491 ' CE1' HG13 ' A' ' 43' ' ' VAL . 10.4 m170 -99.27 135.43 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.378 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.0 m -130.57 140.17 50.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.014 0.435 . . . . 0.0 111.494 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.475 ' O ' HD22 ' A' ' 77' ' ' LEU . 44.5 t -139.48 147.42 41.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.914 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.501 ' O ' HG13 ' A' ' 39' ' ' VAL . 34.4 p-10 -126.93 147.3 50.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.688 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.498 ' HB3' HD11 ' A' ' 81' ' ' LEU . . . -142.28 110.28 5.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.447 . . . . 0.0 111.633 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.43 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 36.4 m -108.57 111.42 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.806 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.713 HD13 ' CD2' ' A' ' 81' ' ' LEU . 7.1 mp -100.4 145.63 27.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.282 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -99.45 135.83 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.458 HG13 ' CB ' ' A' ' 33' ' ' ARG . 11.2 t -133.28 150.81 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -64.73 103.84 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.671 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.4 -19.63 39.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.88 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.2 168.92 34.72 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.765 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.91 130.88 26.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 0.0 110.704 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.47 140.05 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.251 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.24 112.19 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.575 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.81 153.63 46.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.345 . . . . 0.0 111.349 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 81.3 p -142.05 126.44 17.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -131.59 169.24 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.123 0.487 . . . . 0.0 112.161 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.96 163.17 33.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.225 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.35 -69.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.1 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -178.73 -21.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.484 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -146.47 176.49 9.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.827 0.346 . . . . 0.0 110.738 179.819 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.608 ' HG2' HD21 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -62.28 -21.84 65.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.338 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -90.96 -37.89 13.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.078 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.484 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -63.7 -48.61 76.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.265 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.51 -32.15 38.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.319 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.5 mm -79.35 -30.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -57.06 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.076 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.22 -37.88 91.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.552 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.89 ' O ' HD12 ' A' ' 81' ' ' LEU . 17.8 tp -67.8 -47.43 69.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.357 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.53 -15.02 18.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -52.95 9.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.003 0.43 . . . . 0.0 110.165 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -61.78 -38.45 88.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.849 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.89 HD12 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -60.8 -45.16 95.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.27 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.8 -62.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -51.79 -33.89 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.748 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -75.15 -44.22 48.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 111.068 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -59.61 -42.17 92.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.03 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -40.14 85.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -53.7 -64.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.296 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.442 ' CE1' ' HG3' ' A' ' 89' ' ' LYS . 3.5 p80 -62.44 -30.27 71.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.442 ' HG3' ' CE1' ' A' ' 88' ' ' HIS . 13.5 mttp -69.69 -17.72 63.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.343 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.855 0.359 . . . . 0.0 110.619 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.716 HD11 HG23 ' A' ' 21' ' ' THR . 1.8 pt? . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.69 0.281 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -137.41 149.55 47.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.2 mt -119.35 151.29 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.521 ' HB ' HG22 ' A' ' 40' ' ' VAL . 37.5 m -118.36 119.24 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.9 109.81 3.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.619 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -116.94 109.27 16.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.741 0.305 . . . . 0.0 110.473 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.4 t30 58.81 31.05 20.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.641 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.755 HG21 ' CE ' ' A' ' 70' ' ' MET . 9.2 p -151.6 135.75 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -83.64 115.67 22.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.2 mm -70.11 109.43 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 p -104.69 137.34 42.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -34.79 -43.8 0.19 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.239 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.29 -47.58 83.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.561 HD11 ' HG2' ' A' ' 70' ' ' MET . 0.1 OUTLIER -58.91 -64.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -52.98 -43.83 66.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -56.84 -46.03 81.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -57.4 -44.54 84.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.7 -58.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.716 HG23 HD11 ' A' ' 3' ' ' LEU . 21.2 m -59.17 -30.23 68.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.78 87.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.605 ' HB3' HG21 ' A' ' 78' ' ' ILE . 13.2 mmtt -69.86 -49.0 56.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.683 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -51.74 -49.76 61.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.04 -51.22 62.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -29.72 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.961 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.601 HD23 ' CE2' ' A' ' 31' ' ' PHE . 4.8 mp -77.12 -31.29 55.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 110.564 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HG2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -61.1 -14.38 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.413 179.665 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -72.05 -58.4 3.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.695 0.283 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.3 p90 -86.93 -22.99 25.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.462 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.601 ' CE2' HD23 ' A' ' 27' ' ' LEU . 20.9 m-30 -98.93 118.9 36.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.358 . . . . 0.0 110.659 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.21 4.21 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.485 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -106.92 65.75 0.67 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.935 0.398 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.404 HD12 ' HG2' ' A' ' 28' ' ' GLU . 24.5 mt -138.94 108.42 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -108.49 -56.67 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.992 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -129.6 124.69 34.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -132.7 136.9 55.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.851 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -133.19 143.98 49.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 51' ' ' ASP . 18.6 t -135.9 144.81 32.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.306 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.521 HG22 ' HB ' ' A' ' 6' ' ' THR . 18.3 t -139.11 132.39 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.791 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.855 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.31 126.53 35.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.912 -178.808 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 31.0 ttpt -105.78 145.63 30.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.278 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 t -123.42 107.58 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.253 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 47' ' ' THR . 5.9 pt-20 -125.08 152.61 44.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -17.79 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.958 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -85.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 5.6 m -129.04 150.52 50.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.895 0.378 . . . . 0.0 111.513 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -88.06 137.82 32.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.486 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.0 m -125.34 132.01 52.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 111.711 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.786 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 33.3 p -137.07 138.09 40.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.435 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.561 ' O ' HG13 ' A' ' 39' ' ' VAL . 54.2 p-10 -128.02 151.3 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.969 0.414 . . . . 0.0 111.321 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.943 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -138.81 140.27 38.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.937 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.9 109.17 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.498 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.624 HD11 ' HG ' ' A' ' 81' ' ' LEU . 2.0 mp -102.76 145.46 29.69 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.882 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.14 136.47 43.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.953 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 88' ' ' HIS . 28.5 m -139.9 159.65 26.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.77 103.77 3.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.52 -21.35 7.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.76 -173.45 42.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -140.32 133.02 28.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.802 0.334 . . . . 0.0 110.813 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.857 HD11 ' CD2' ' A' ' 88' ' ' HIS . 3.7 mt -101.99 137.28 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.945 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -133.67 111.96 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.535 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . . . -121.18 156.57 32.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.007 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.81 147.73 39.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.084 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -149.23 169.38 20.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.114 0.483 . . . . 0.0 111.664 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.75 161.08 38.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.288 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA3' ' HB3' ' A' ' 72' ' ' ALA . . . -159.81 170.66 36.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.806 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -65.15 -12.0 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -156.85 176.37 12.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.656 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.755 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -64.52 -16.02 61.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.366 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -88.93 -40.44 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -62.38 -46.58 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.786 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -53.17 -39.36 63.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.367 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mm -71.67 -31.8 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -65.22 -56.97 9.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.89 -30.18 75.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.402 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.871 ' O ' HD13 ' A' ' 81' ' ' LEU . 17.2 tp -72.26 -49.61 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.605 HG21 ' HB3' ' A' ' 23' ' ' LYS . 34.7 mm -67.37 -17.07 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.96 -53.07 9.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.041 0.448 . . . . 0.0 109.849 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -59.55 -38.04 80.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.635 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.943 HD21 ' HB1' ' A' ' 52' ' ' ALA . 10.8 mp -58.39 -52.44 65.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.9 -60.15 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -34.52 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -74.4 -46.5 39.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 81' ' ' LEU . 3.1 mm? -57.61 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.8 m -61.88 -44.83 96.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -64.46 0.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.496 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.857 ' CD2' HD11 ' A' ' 61' ' ' ILE . 1.8 p80 -65.58 -28.06 68.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -21.3 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.7 t70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 179.876 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.03 0.443 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -131.21 150.83 51.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.277 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.3 mt -109.78 144.44 17.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.971 0.415 . . . . 0.0 111.657 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -140.97 118.74 11.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.808 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.56 151.3 17.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.445 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -125.19 109.1 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 68.68 36.35 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.821 HG21 ' CE ' ' A' ' 70' ' ' MET . 13.1 p -152.88 139.6 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.017 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.85 122.31 33.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 111.21 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.4 mm -74.34 117.55 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -110.25 137.12 48.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -34.73 -44.53 0.22 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.193 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.74 -47.58 71.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.543 HD11 ' HG2' ' A' ' 70' ' ' MET . 1.3 tp -55.92 -67.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.731 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -39.26 9.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.597 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.72 -46.36 84.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.606 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -56.52 -46.69 80.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 t -60.09 -52.62 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.72 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 m -61.46 -30.96 70.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.606 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.8 82.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.813 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.5 mmtt -60.18 -59.83 4.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.655 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.677 ' CE1' HG11 ' A' ' 37' ' ' VAL . 11.4 m-85 -52.74 -42.84 65.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.41 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.64 -54.62 25.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.588 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -29.65 49.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.525 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 4.4 mp -79.02 -26.33 43.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.469 ' HG2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -67.3 -14.77 63.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.105 179.629 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -73.03 -61.02 1.96 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 1.8 p90 -80.93 -26.86 36.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.503 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 85' ' ' LEU . 3.5 m-85 -117.27 119.91 36.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 111.258 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.96 1.45 22.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.412 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -82.1 59.49 4.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.484 HG23 ' CG2' ' A' ' 37' ' ' VAL . 17.3 mt -133.97 112.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.06 -59.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -125.56 116.97 22.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.803 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.677 HG11 ' CE1' ' A' ' 24' ' ' PHE . 21.4 t -128.68 134.56 64.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -130.63 141.36 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.555 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 51' ' ' ASP . 15.4 t -135.82 144.23 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.536 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.495 ' C ' HD13 ' A' ' 41' ' ' LEU . 17.5 t -137.57 133.92 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.803 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.848 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.27 123.66 28.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.454 -0.793 . . . . 0.0 111.786 -178.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -100.73 142.4 32.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.335 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.15 105.74 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.399 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 47' ' ' THR . 6.9 pt-20 -123.96 152.37 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.542 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -52.66 -21.44 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.821 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.427 HG12 ' OG1' ' A' ' 47' ' ' THR . 48.8 t -84.67 -84.82 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.427 ' OG1' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -129.26 151.69 49.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.913 0.387 . . . . 0.0 111.309 -179.67 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 6.3 m170 -93.87 131.25 39.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.297 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.9 m -120.61 140.66 51.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.986 0.422 . . . . 0.0 111.774 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.483 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 19.8 p -138.66 143.15 39.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.509 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.613 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.5 p30 -128.69 147.03 50.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.932 0.396 . . . . 0.0 111.32 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.892 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -134.47 141.05 46.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.086 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.76 105.26 4.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.662 HD12 HD12 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -98.55 143.24 29.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.54 117.08 29.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 60' ' ' GLU . 1.9 t -90.3 168.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.519 ' H ' HG12 ' A' ' 56' ' ' VAL . 4.5 m120 -47.65 -56.27 7.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.4 -48.53 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.571 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.29 -171.04 34.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.721 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.521 ' HA ' HG23 ' A' ' 56' ' ' VAL . 67.7 mt-10 -141.3 138.01 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.688 0.28 . . . . 0.0 110.844 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.741 HD13 HD22 ' A' ' 85' ' ' LEU . 3.2 mt -101.15 134.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -134.32 112.19 10.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.64 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.718 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -136.76 165.65 25.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 111.084 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 2.0 p -140.68 153.56 46.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -142.23 156.88 45.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.944 0.402 . . . . 0.0 111.411 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -130.95 157.49 42.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.52 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.52 172.68 37.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.768 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.76 -12.62 25.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.442 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 6.0 p-10 -157.98 176.15 12.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.623 0.249 . . . . 0.0 110.558 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.821 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -59.61 -52.53 65.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.823 0.344 . . . . 0.0 110.819 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -55.93 -41.94 75.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.58 73.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 50' ' ' SER . . . -49.81 -31.06 10.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.23 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 mm -74.81 -37.97 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.687 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.61 -56.79 16.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.24 -28.72 73.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.206 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.892 HD11 ' HB3' ' A' ' 52' ' ' ALA . 12.2 tp -67.19 -42.65 83.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.05 0.452 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.8 mm -79.7 -16.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.962 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.61 -60.47 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.528 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -64.2 -33.97 77.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.672 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.883 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -60.23 -49.61 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.97 71.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.746 0.307 . . . . 0.0 110.685 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -42.42 48.46 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.068 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -70.69 -38.24 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.035 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.5 mm? -58.39 -42.89 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.693 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -41.57 96.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.233 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -57.15 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.237 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.611 ' NE2' HD11 ' A' ' 61' ' ' ILE . 3.0 p80 -74.35 -25.29 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.538 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.447 ' CE ' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -69.71 -19.42 63.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.484 -179.516 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 110.437 179.597 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.841 0.353 . . . . 0.0 110.76 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -134.45 141.0 46.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.025 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mt -117.23 151.11 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.776 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.668 ' HB ' HG13 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -119.18 118.97 32.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.318 179.589 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.54 110.89 4.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.923 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -111.68 109.05 18.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.207 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 t30 64.39 32.66 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.41 . . . . 0.0 110.432 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.732 HG11 ' HE1' ' A' ' 70' ' ' MET . 21.8 t -151.56 136.03 9.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.005 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -84.22 118.09 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -65.98 103.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -100.21 132.8 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -36.45 -39.46 0.2 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.2 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 18' ' ' GLU . . . -67.55 -47.25 70.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 111.211 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.648 HD21 ' HG2' ' A' ' 70' ' ' MET . 0.3 OUTLIER -64.0 -50.71 67.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.303 -179.7 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -46.17 82.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.62 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -62.48 -37.97 88.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.624 0.249 . . . . 0.0 110.691 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 80.1 t80 -57.58 -46.72 83.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.823 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 16' ' ' LEU . 20.0 t -59.59 -48.85 85.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.724 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 m -64.39 -30.19 71.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.611 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -55.57 -45.29 77.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HB3' HG21 ' A' ' 78' ' ' ILE . 5.7 mttt -69.31 -47.57 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.64 ' HE1' HG11 ' A' ' 37' ' ' VAL . 2.3 m-85 -53.11 -48.61 67.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.87 -51.5 60.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.732 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -29.85 29.47 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.466 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -77.49 -32.06 53.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.976 0.417 . . . . 0.0 110.463 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -14.92 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.834 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.6 -55.23 9.3 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.671 0.272 . . . . 0.0 110.885 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.466 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -99.76 2.34 44.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.834 -179.796 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 86' ' ' THR . 20.8 m-85 -124.79 118.12 25.67 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.896 0.379 . . . . 0.0 110.72 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -108.7 -28.8 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -68.51 70.11 0.17 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.12 116.12 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.09 -61.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -128.6 125.29 37.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.77 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.64 HG11 ' HE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -125.27 136.11 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.472 -179.697 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.82 132.44 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.543 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 51' ' ' ASP . 19.9 t -126.57 146.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.281 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.668 HG13 ' HB ' ' A' ' 6' ' ' THR . 20.2 t -144.13 132.64 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.548 . . . . 0.0 111.418 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.853 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.48 126.12 34.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.362 -179.342 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -108.29 147.42 31.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.623 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.647 HG23 HG21 ' A' ' 10' ' ' VAL . 50.1 t -125.72 108.65 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 47' ' ' THR . 6.4 pt-20 -124.83 153.07 43.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.616 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -17.25 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.933 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -85.59 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.413 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -129.13 150.93 50.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.852 0.358 . . . . 0.0 111.518 -179.579 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -87.83 141.39 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.493 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -129.92 129.95 44.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.866 0.365 . . . . 0.0 111.703 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.626 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 96.9 p -135.26 137.59 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.296 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.495 ' O ' HG13 ' A' ' 39' ' ' VAL . 2.9 p30 -129.16 151.77 49.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.056 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.644 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -146.22 110.12 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.017 0.437 . . . . 0.0 111.211 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.418 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.5 m -106.67 112.31 25.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.044 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.668 HD13 ' CD2' ' A' ' 81' ' ' LEU . 7.7 mp -100.7 145.67 28.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -95.99 129.37 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' ' 57' ' ' ASN . 2.2 t -110.41 168.66 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.541 ' H ' HG12 ' A' ' 56' ' ' VAL . 19.4 m120 -45.41 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.385 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.13 27.98 9.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.391 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.33 171.37 37.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.419 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -140.26 128.92 23.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.518 HD11 ' CD2' ' A' ' 88' ' ' HIS . 10.8 mt -103.83 139.8 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -133.01 112.48 11.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.772 ' HB1' ' HD2' ' A' ' 80' ' ' LYS . . . -117.59 151.18 37.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.928 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.42 119.24 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.224 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.869 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -124.53 170.79 10.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.967 0.413 . . . . 0.0 111.721 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.31 161.36 37.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.474 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.58 169.89 35.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.718 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -64.38 -13.54 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.371 0.137 . . . . 0.0 111.371 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -153.46 176.15 12.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.732 ' HE1' HG11 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -65.57 -16.85 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.444 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -90.48 -37.88 13.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.89 80.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.626 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -54.01 -36.5 63.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.285 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.3 mm -75.58 -27.81 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -55.94 11.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.51 -27.47 72.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.341 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.906 ' O ' HD12 ' A' ' 81' ' ' LEU . 3.8 tt -74.71 -52.14 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.531 ' N ' HD23 ' A' ' 77' ' ' LEU . 22.7 mm -70.19 -15.2 18.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.895 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -53.0 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.436 . . . . 0.0 110.228 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.772 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 2.3 ptpt -62.48 -35.09 78.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.771 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.906 HD12 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -63.93 -48.9 74.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.215 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.08 -60.66 3.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.233 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -52.69 -33.68 48.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.777 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -46.1 35.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.358 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.3 mm? -58.97 -43.49 91.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.692 HG23 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -64.83 -40.34 95.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.006 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -62.05 1.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.564 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.518 ' CD2' HD11 ' A' ' 61' ' ' ILE . 3.1 p80 -67.19 -38.29 85.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.551 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 3.3 tmtm? -62.25 -19.22 62.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.631 0.253 . . . . 0.0 111.303 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.393 . . . . 0.0 110.771 179.749 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.91 0.386 . . . . 0.0 110.765 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -141.72 159.62 41.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.474 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -128.52 154.04 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.762 179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.806 ' O ' HG13 ' A' ' 40' ' ' VAL . 20.5 m -141.65 118.9 11.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.124 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.404 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -100.99 131.71 10.67 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.818 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 8' ' ' ASN . 2.4 p30 -108.7 116.18 31.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 110.568 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.7 OUTLIER 68.89 33.42 3.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.773 -179.678 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.916 HG21 ' CE ' ' A' ' 70' ' ' MET . 13.1 p -152.06 135.94 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.9 120.48 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.404 HD11 ' HA3' ' A' ' 7' ' ' GLY . 21.9 mm -82.75 94.17 3.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.016 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.0 p -98.38 147.1 25.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.77 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -39.09 -33.4 0.13 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.876 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -47.08 73.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.061 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.924 HD11 ' HG2' ' A' ' 70' ' ' MET . 2.2 tp -56.98 -66.76 0.4 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 -47.19 -40.03 15.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.806 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.24 -52.06 65.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.547 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 45.2 t80 -49.28 -49.65 42.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.134 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 t -60.53 -51.21 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.421 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -62.11 -23.65 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.605 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -53.99 -45.97 71.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.791 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' HD13 ' A' ' 27' ' ' LEU . 32.4 mmtt -76.29 -46.46 27.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.894 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.693 ' CE2' HG11 ' A' ' 37' ' ' VAL . 4.5 m-85 -56.95 -13.34 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.211 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 -49.52 9.41 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.012 0.434 . . . . 0.0 109.92 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -15.63 62.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.117 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.582 HD23 ' HE2' ' A' ' 31' ' ' PHE . 6.0 mp -87.85 -42.83 12.27 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.779 0.323 . . . . 0.0 110.667 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.08 -15.48 9.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.312 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.55 -53.4 16.23 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.746 0.307 . . . . 0.0 110.844 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.493 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 3.1 p90 -95.83 2.29 53.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.574 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.701 ' HB3' HD11 ' A' ' 34' ' ' ILE . 10.9 m-30 -115.04 118.87 34.61 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.758 0.313 . . . . 0.0 110.461 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.27 -29.86 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.001 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.1 mtt-85 -77.38 64.04 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.701 HD11 ' HB3' ' A' ' 31' ' ' PHE . 30.3 mt -136.51 124.06 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -124.96 -61.75 1.28 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.169 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -129.56 116.89 19.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.216 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.693 HG11 ' CE2' ' A' ' 24' ' ' PHE . 3.6 t -122.7 135.47 62.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.755 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -130.11 127.56 40.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.025 0.441 . . . . 0.0 111.165 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.3 t -122.46 146.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.002 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 6' ' ' THR . 24.6 t -144.52 134.63 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.219 0.533 . . . . 0.0 110.755 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.841 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.16 131.69 44.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.604 -179.01 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -106.7 136.45 46.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.578 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.51 HG13 ' NE2' ' A' ' 48' ' ' HIS . 21.9 t -117.47 117.5 55.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.052 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -136.31 152.69 50.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -51.9 -20.6 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.01 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.59 -84.93 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 m -129.18 154.53 46.67 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.016 0.436 . . . . 0.0 111.469 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CD2' ' HA ' ' A' ' 69' ' ' ASP . 3.2 m80 -98.89 136.46 38.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.452 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.8 m -129.56 139.24 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 111.467 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.7 p -133.25 147.38 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.759 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.714 ' O ' HG13 ' A' ' 39' ' ' VAL . 1.6 p30 -129.89 148.27 51.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.603 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.692 ' HB2' HD11 ' A' ' 77' ' ' LEU . . . -141.04 114.01 8.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.937 0.399 . . . . 0.0 111.628 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.434 HG23 ' CG ' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -109.23 107.61 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.692 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 81' ' ' LEU . 8.5 mp -100.71 146.36 27.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 111.439 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -106.69 134.72 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.901 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 m -141.46 117.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.24 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.5 m120 40.61 -95.02 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.773 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.78 31.85 4.63 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.571 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.29 155.69 23.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.19 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -134.98 117.72 16.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 111.193 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -102.37 138.38 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.429 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.434 ' CG ' HG23 ' A' ' 53' ' ' THR . 5.2 t-160 -133.59 112.21 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.331 . . . . 0.0 111.04 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.881 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -124.69 155.28 39.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.863 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -140.83 123.9 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.652 ' HB2' ' HE2' ' A' ' 80' ' ' LYS . . . -121.37 153.05 38.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.113 0.482 . . . . 0.0 111.987 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -130.86 157.43 42.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.033 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.96 -67.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.067 -1.063 . . . . 0.0 113.169 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -177.47 -24.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.639 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 4.0 p30 -147.77 176.6 9.99 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.924 ' HG2' HD11 ' A' ' 16' ' ' LEU . 7.4 tpp -53.6 -56.32 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.788 0.328 . . . . 0.0 111.21 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -59.21 -38.12 79.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.243 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.639 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -60.65 -53.04 62.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.388 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.62 -31.68 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.4 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.9 mm -78.72 -23.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.231 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -52.22 12.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.873 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.82 -37.01 88.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.239 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -68.01 -41.91 81.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.054 0.454 . . . . 0.0 110.625 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.584 ' N ' HD23 ' A' ' 77' ' ' LEU . 23.2 mm -76.47 -15.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.078 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.12 -53.38 7.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.652 ' HE2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -73.74 -25.46 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.953 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.881 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -70.45 -50.6 36.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.837 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.11 61.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -54.38 -34.53 61.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.438 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -76.54 -46.25 27.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.028 0.442 . . . . 0.0 110.729 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -56.52 -44.32 80.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.912 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -37.06 82.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -62.2 1.77 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -62.84 -29.35 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 1.1 tttt -68.89 -16.86 63.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.248 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 120.769 0.319 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.725 0.298 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -141.16 158.01 44.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.584 HG22 ' HB ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -132.89 154.15 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.478 ' O ' HG13 ' A' ' 40' ' ' VAL . 20.3 m -140.56 118.95 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.987 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.64 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -99.02 133.66 11.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.061 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' HB2' ' A' ' 42' ' ' LYS . 11.6 p30 -107.51 116.84 32.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.693 0.282 . . . . 0.0 110.378 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.1 t30 62.02 37.62 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.575 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.551 HG11 HD23 ' A' ' 41' ' ' LEU . 9.4 p -151.37 133.33 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.965 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.72 118.42 15.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.809 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.64 HD11 ' HA3' ' A' ' 7' ' ' GLY . 26.1 mm -82.95 94.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -96.04 143.91 26.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -38.23 -33.93 0.11 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.042 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.24 -46.87 72.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.203 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -57.29 -66.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -48.89 -40.07 28.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.02 -51.65 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -49.67 -48.55 49.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.8 -53.41 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.7 m -60.06 -30.64 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.83 88.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' O ' HD13 ' A' ' 27' ' ' LEU . 15.5 mmtt -65.39 -55.8 16.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.612 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.862 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 6.1 m-85 -48.1 -46.19 33.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.21 -55.63 17.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -26.52 53.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 10.8 mp -82.89 -26.04 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 110.829 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -13.17 35.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -72.6 -50.42 25.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.628 0.252 . . . . 0.0 111.331 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -98.59 -25.53 14.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.757 -179.509 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CD2' HD22 ' A' ' 85' ' ' LEU . 20.5 m-30 -95.56 117.8 31.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.43 -7.29 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.48 47.97 1.49 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.81 0.338 . . . . 0.0 111.268 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' A' ' 31' ' ' PHE . 6.1 mt -133.85 107.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.737 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.65 -54.24 2.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.97 116.51 21.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.862 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 2.7 t -126.69 134.35 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -128.88 127.3 41.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.581 179.423 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.4 t -122.05 145.88 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.422 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 6' ' ' THR . 24.0 t -140.47 134.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.621 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.869 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.36 128.53 39.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.799 -178.776 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.453 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 4.3 ttpt -101.38 128.6 47.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.174 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.414 HG21 ' CG2' ' A' ' 10' ' ' VAL . 38.5 t -113.05 110.44 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.512 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 47' ' ' THR . 10.2 pt-20 -133.33 152.41 51.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.459 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -53.51 -20.57 5.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.893 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.16 -84.98 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 31.1 m -129.06 153.76 47.32 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.816 0.341 . . . . 0.0 111.314 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 5.3 m-70 -102.33 133.87 46.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.733 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -124.32 141.75 51.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.147 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.811 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 34.0 p -138.43 147.06 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.666 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.4 p30 -135.74 146.91 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.72 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.722 ' CB ' HD21 ' A' ' 77' ' ' LEU . . . -145.14 110.6 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 111.752 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.416 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.3 m -104.2 114.08 28.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.714 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.806 ' CD2' HD11 ' A' ' 85' ' ' LEU . 9.2 mp -99.49 145.65 27.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.0 0.429 . . . . 0.0 111.217 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -91.33 125.15 36.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.96 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 60' ' ' GLU . 2.1 t -103.55 168.78 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.539 ' H ' HG12 ' A' ' 56' ' ' VAL . 20.0 m-20 -46.33 -62.27 1.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.482 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.59 -53.4 1.06 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.801 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.59 -167.28 31.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.719 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.551 ' HA ' HG23 ' A' ' 56' ' ' VAL . 63.0 mt-10 -140.68 135.21 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.7 0.286 . . . . 0.0 110.668 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.3 mt -101.52 140.45 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.038 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.402 ' CB ' HG23 ' A' ' 53' ' ' THR . 7.8 t-160 -132.98 112.31 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.715 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -125.26 154.18 42.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -140.68 149.63 42.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.61 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.834 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -145.46 163.68 33.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 111.235 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -135.93 158.84 43.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.779 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.26 169.54 34.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.67 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -53.22 -18.26 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.419 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 3.9 p-10 -153.25 173.81 15.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.723 0.297 . . . . 0.0 110.651 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -58.0 -53.99 52.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.813 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.725 ' CE1' HD22 ' A' ' 16' ' ' LEU . 41.0 m-85 -56.43 -40.06 74.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.01 71.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.811 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -51.11 -31.81 20.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.205 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 78' ' ' ILE . 43.6 mm -75.45 -33.41 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.465 ' O ' HG22 ' A' ' 78' ' ' ILE . 7.7 t0 -64.88 -57.08 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.24 93.67 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.834 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 8.6 tt -69.59 -41.62 75.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.821 0.343 . . . . 0.0 111.326 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -71.95 -20.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.553 -179.66 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -79.72 -50.42 10.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -68.52 -33.45 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.788 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.773 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -65.17 -47.9 75.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.406 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -57.22 -55.8 30.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.878 0.37 . . . . 0.0 110.763 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -52.62 -31.99 39.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -40.16 69.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.017 0.437 . . . . 0.0 110.605 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.806 HD11 ' CD2' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -59.64 -40.22 86.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.741 179.677 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -66.94 -39.37 87.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.688 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.273 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.449 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 8.3 p-80 -64.28 -26.4 68.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.239 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -14.82 60.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.558 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 t0 . . . . . 0 C--N 1.332 -0.188 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.6 pt? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.748 0.309 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -141.15 159.12 42.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.6 mt -124.26 153.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.835 ' O ' HG13 ' A' ' 40' ' ' VAL . 51.2 m -139.3 121.48 15.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.238 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.31 124.41 7.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.09 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.1 p30 -94.02 115.28 27.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 1.1 t30 86.53 -43.96 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.252 -178.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.592 HG22 ' N ' ' A' ' 11' ' ' GLU . 15.0 p -95.54 169.44 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.687 -179.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.592 ' N ' HG22 ' A' ' 10' ' ' VAL . 1.3 pm0 -110.5 147.67 33.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.846 0.355 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.8 mm -76.39 101.6 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.717 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 p -93.54 140.0 30.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -36.29 -37.82 0.13 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.171 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -68.98 -47.29 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.3 tp -62.29 -46.65 87.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.254 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -70.03 -44.36 69.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.485 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 10.5 pt-20 -63.79 -47.67 79.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.734 0.302 . . . . 0.0 110.849 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -54.39 -47.74 72.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 16' ' ' LEU . 39.6 t -60.81 -48.03 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 m -65.44 -34.23 77.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.409 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.27 -43.82 79.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.784 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HB3' HG12 ' A' ' 78' ' ' ILE . 13.5 mmtt -65.05 -52.14 57.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.303 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.711 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 5.7 m-85 -49.76 -42.45 46.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.696 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.52 -50.52 62.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.954 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -28.78 67.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.692 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.572 HD21 ' HB2' ' A' ' 82' ' ' ALA . 9.3 mp -82.68 -22.02 34.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.937 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -66.78 -12.43 58.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.677 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -68.07 -45.94 72.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.67 0.272 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.508 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -107.75 2.29 23.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.84 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.487 ' HB3' HD11 ' A' ' 34' ' ' ILE . 18.2 m-30 -111.88 118.57 35.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.51 -31.03 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -77.78 76.66 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.487 HD11 ' HB3' ' A' ' 31' ' ' PHE . 28.9 mt -144.14 114.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.49 -62.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.125 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.09 116.9 21.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 111.127 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.711 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 13.9 t -125.53 134.28 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.459 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.65 142.92 49.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 0.0 110.837 179.683 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 51' ' ' ASP . 8.2 t -134.19 146.52 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.15 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 6' ' ' THR . 22.3 t -141.58 135.56 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.142 0.496 . . . . 0.0 111.062 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.85 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.35 128.08 38.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.741 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -101.93 136.57 41.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.416 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.423 HG21 ' HE1' ' A' ' 70' ' ' MET . 21.5 t -117.98 109.99 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.175 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -130.16 152.75 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -20.38 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.892 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.7 t -86.48 -85.93 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.9 m -129.11 154.21 46.92 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.998 0.428 . . . . 0.0 111.379 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -97.0 134.18 40.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.533 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 m -123.96 141.48 52.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.917 0.389 . . . . 0.0 111.287 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.586 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 27.1 p -138.31 147.28 43.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.948 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.689 ' O ' HG13 ' A' ' 39' ' ' VAL . 11.8 p30 -131.67 148.95 52.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.782 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.779 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -142.17 110.33 5.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.914 0.387 . . . . 0.0 111.501 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.408 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.2 m -108.74 109.31 20.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.56 HD13 HD12 ' A' ' 81' ' ' LEU . 9.1 mp -98.37 145.95 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.194 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -99.18 126.7 45.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.85 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 57' ' ' ASN . 2.5 t -103.94 166.41 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.492 ' H ' HG12 ' A' ' 56' ' ' VAL . 5.9 m-20 -47.0 -67.07 0.31 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.231 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.99 27.1 8.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.417 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -162.22 172.9 38.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -138.46 124.91 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mt -102.49 139.48 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.649 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -133.24 112.18 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.25 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.741 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -121.13 153.12 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.604 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.2 p -140.9 120.88 13.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.759 0.314 . . . . 0.0 110.749 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -117.53 163.71 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.156 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.23 157.9 45.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.15 164.47 31.9 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.673 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -59.51 -17.2 29.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.579 0.228 . . . . 0.0 111.504 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.444 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 3.9 p-10 -151.46 176.43 11.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 110.691 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.423 ' HE1' HG21 ' A' ' 43' ' ' VAL . 2.2 tpp -57.81 -56.5 21.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -56.16 -36.81 68.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.984 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.444 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -62.39 -49.2 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 110.987 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 50' ' ' SER . . . -52.66 -32.86 44.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.264 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 78' ' ' ILE . 47.4 mm -78.0 -28.79 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -55.65 14.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.83 -33.17 74.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.889 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 48.2 tp -73.56 -34.61 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 111.189 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 74' ' ' ILE . 2.6 tp -82.44 -16.61 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.5 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.05 -49.41 8.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.903 0.383 . . . . 0.0 110.34 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -69.54 -33.45 72.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.472 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.741 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -67.37 -50.58 59.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.013 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.48 -52.32 65.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 110.918 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -55.41 -33.61 63.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.309 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -76.29 -48.77 18.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 81' ' ' LEU . 3.4 mm? -57.12 -40.19 76.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.746 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -69.47 -38.52 77.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.0 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -53.12 -63.52 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.992 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 3.0 p80 -64.56 -26.74 68.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -18.44 63.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.366 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.912 0.387 . . . . 0.0 111.035 179.926 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.6 pt? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -133.08 146.0 51.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.3 mt -106.16 142.47 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.988 0.423 . . . . 0.0 111.395 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.593 ' O ' HG13 ' A' ' 40' ' ' VAL . 2.2 m -149.04 118.23 6.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.69 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.62 168.47 12.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.231 -0.985 . . . . 0.0 113.566 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.95 109.14 12.62 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 69.27 42.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.949 0.404 . . . . 0.0 110.202 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.534 HG21 ' CD2' ' A' ' 41' ' ' LEU . 2.8 m -150.46 133.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.456 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.13 118.42 24.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.486 HD13 HD23 ' A' ' 16' ' ' LEU . 18.6 mm -82.36 103.37 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -104.29 155.32 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -33.52 -52.91 0.41 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.259 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.82 84.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.323 . . . . 0.0 111.066 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 20' ' ' VAL . 4.6 tp -56.08 -51.68 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.724 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 1.2 ptt85 -66.92 -41.49 86.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.754 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 6.2 mt-10 -64.33 -56.7 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.731 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.84 -49.85 57.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.708 -0.223 . . . . 0.0 111.535 -179.084 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 16' ' ' LEU . 18.1 t -58.49 -45.62 90.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 0.0 110.646 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.4 HG23 HD11 ' A' ' 3' ' ' LEU . 12.3 m -68.75 -29.66 68.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.787 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.16 87.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB3' HG21 ' A' ' 78' ' ' ILE . 8.4 mttt -67.11 -51.63 51.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.479 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.613 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.3 m-85 -52.94 -45.64 67.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.48 -51.74 61.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -29.68 58.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 23' ' ' LYS . 9.1 mp -80.77 -26.37 37.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -13.75 52.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.672 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -67.93 -58.5 4.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.805 0.336 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.486 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -89.65 2.37 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.468 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 19.2 m-30 -116.71 119.18 34.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.339 . . . . 0.0 110.734 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -107.9 -23.24 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -84.14 76.3 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.07 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.9 mt -144.02 117.12 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -121.23 -58.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.317 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -127.0 116.88 21.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.613 HG11 ' CE1' ' A' ' 24' ' ' PHE . 2.3 t -123.23 134.36 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.47 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.32 139.65 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -135.58 144.59 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.131 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 6' ' ' THR . 17.6 t -142.52 136.13 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 111.081 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.868 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.51 129.19 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.845 -179.099 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -106.74 143.08 35.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.468 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -122.3 110.8 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 47' ' ' THR . 5.5 pt-20 -128.66 152.51 48.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.574 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.81 -20.69 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.114 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.413 HG12 ' OG1' ' A' ' 47' ' ' THR . 45.7 t -87.33 -84.39 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.413 ' OG1' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -129.9 152.95 48.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.864 0.364 . . . . 0.0 111.588 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.433 ' CD2' ' HA ' ' A' ' 69' ' ' ASP . 1.2 m80 -93.36 137.14 32.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.285 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -125.34 133.63 52.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.983 0.42 . . . . 0.0 111.661 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.7 p -133.87 140.7 47.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.209 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 38.2 p-10 -127.06 141.59 51.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 111.336 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.679 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -128.57 137.88 51.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.926 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.402 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 2.0 m -140.33 107.54 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.454 ' HG ' HG13 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -101.41 145.48 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -101.09 134.65 43.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.433 HG21 HD11 ' A' ' 61' ' ' ILE . 29.3 t -130.65 153.16 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.983 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -64.46 102.59 0.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.965 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.98 -16.76 58.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.971 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.46 163.38 29.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.723 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.56 132.42 27.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 110.777 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.433 HD11 HG21 ' A' ' 56' ' ' VAL . 2.4 mp -101.67 136.24 34.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.04 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -134.61 112.12 10.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.807 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -127.73 162.83 25.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 111.126 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -140.82 117.17 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.339 179.687 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -112.86 156.97 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 111.345 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -130.25 156.71 44.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.621 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.84 167.63 33.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.554 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -65.56 -13.23 58.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.572 0.225 . . . . 0.0 111.497 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.433 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 3.5 p-10 -154.95 176.16 12.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.737 0.303 . . . . 0.0 110.796 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.2 ttp -59.65 -58.02 10.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -55.36 -41.95 73.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.39 -50.65 72.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.029 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.25 -34.21 31.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.461 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 34.5 mm -76.48 -30.13 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -56.62 18.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.252 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.33 -24.15 77.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.298 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 52' ' ' ALA . 12.6 tp -72.37 -45.19 60.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.407 . . . . 0.0 110.59 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.613 HG21 ' HB3' ' A' ' 23' ' ' LYS . 48.5 mm -79.59 -15.83 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.049 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.18 -57.62 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.453 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -64.59 -33.15 75.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.24 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.807 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -64.49 -46.35 83.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.838 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.99 -58.09 9.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.98 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -51.95 -32.88 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.191 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -75.96 -45.46 34.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.987 0.423 . . . . 0.0 110.834 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -59.91 -42.26 93.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.724 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -67.04 -40.17 87.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -64.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.021 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -61.73 -37.44 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.616 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -63.93 -17.41 63.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.81 0.338 . . . . 0.0 110.648 179.787 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.495 ' HA ' HG23 ' A' ' 37' ' ' VAL . 1.8 pt? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.926 0.393 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -132.7 142.11 48.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.448 HG22 ' HB ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -124.9 153.25 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 111.352 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.635 ' O ' HG13 ' A' ' 40' ' ' VAL . 9.4 m -142.22 118.81 11.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.108 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.792 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -100.3 121.18 7.14 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.938 -179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.518 ' OD1' ' HB2' ' A' ' 42' ' ' LYS . 6.5 p30 -98.15 114.33 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.696 0.284 . . . . 0.0 110.47 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 65.5 36.44 6.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 0.0 110.591 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.9 p -151.4 134.32 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.867 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.75 114.84 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.792 HD11 ' HA3' ' A' ' 7' ' ' GLY . 26.5 mm -76.27 94.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.006 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.8 p -96.93 145.17 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.746 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -35.17 -45.02 0.28 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.211 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -59.39 -46.81 87.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.934 0.397 . . . . 0.0 111.25 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -61.82 -50.88 70.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.414 -179.43 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.5 ptm180 -65.69 -45.76 81.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.735 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 18.9 pt-20 -60.8 -45.41 94.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.832 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -54.07 -47.46 71.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 16' ' ' LEU . 7.2 t -61.59 -52.67 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.853 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.403 HG23 HD11 ' A' ' 3' ' ' LEU . 63.6 m -63.67 -29.1 70.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.62 84.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.737 ' HB3' HG21 ' A' ' 78' ' ' ILE . 8.7 mmtt -70.08 -44.75 68.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.404 ' HE2' HG11 ' A' ' 37' ' ' VAL . 1.5 m-85 -51.47 -48.15 62.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.03 -51.2 62.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -29.45 46.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.693 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.646 HD23 ' HE2' ' A' ' 31' ' ' PHE . 4.5 mp -80.83 -32.46 35.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.47 -14.94 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.545 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.44 -57.92 4.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.682 0.277 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.2 p90 -87.59 -23.95 24.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.511 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.646 ' HE2' HD23 ' A' ' 27' ' ' LEU . 20.2 m-30 -94.97 118.92 32.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.823 0.344 . . . . 0.0 110.582 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.6 -29.67 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -75.58 71.07 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.417 HD11 ' CB ' ' A' ' 31' ' ' PHE . 28.2 mt -139.76 124.36 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.8 -62.49 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.96 120.88 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.525 ' CG1' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -126.94 136.72 59.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.845 179.69 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -133.11 146.25 51.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 51' ' ' ASP . 15.0 t -138.67 146.47 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 6' ' ' THR . 20.2 t -142.88 136.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.16 0.505 . . . . 0.0 110.978 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.846 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.77 129.79 41.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.828 -179.084 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.518 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 22.2 ttpt -102.11 136.17 42.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.325 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.415 HG22 ' CE ' ' A' ' 70' ' ' MET . 38.8 t -116.06 114.73 47.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.581 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -135.65 152.33 51.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.57 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.65 -20.18 7.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.93 -84.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.8 m -129.43 152.63 48.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 111.343 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -95.84 133.88 39.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.296 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.1 m -124.68 137.44 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.043 0.449 . . . . 0.0 111.569 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 98.1 p -134.01 141.53 47.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.31 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.575 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.2 p30 -126.51 150.05 49.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.403 . . . . 0.0 111.135 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.832 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -136.79 142.8 42.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.36 105.15 4.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.054 HD13 HD21 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -100.52 145.41 28.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.181 -179.757 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.427 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 20.3 m-70 -109.38 134.52 51.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.671 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.595 HG21 ' CE1' ' A' ' 88' ' ' HIS . 19.2 t -141.75 117.4 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.331 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 m120 41.19 -94.04 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.811 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.53 29.73 5.36 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.6 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.45 156.92 25.98 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.187 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.427 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 2.0 mt-10 -140.48 126.82 19.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 111.178 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.05 140.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.418 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -133.43 113.67 12.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.977 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.838 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -133.68 163.03 30.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.887 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.7 p -140.14 151.58 45.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.668 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.07 145.6 39.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.313 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.62 147.08 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.623 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' A' ' 72' ' ' ALA . . . -150.3 159.02 27.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.8 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -58.33 -15.81 11.91 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.9 p30 -154.1 176.69 11.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.742 0.306 . . . . 0.0 110.479 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.66 ' HG2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.41 -15.63 60.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.316 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -87.18 -38.62 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.793 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -69.11 -41.71 77.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.011 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.64 75.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.6 mm -75.47 -28.21 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.97 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.27 -53.59 34.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.08 -30.13 72.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.403 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.832 HD11 ' CB ' ' A' ' 52' ' ' ALA . 13.0 tp -67.49 -42.78 82.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.639 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.737 HG21 ' HB3' ' A' ' 23' ' ' LYS . 47.3 mm -80.06 -15.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.161 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.47 -59.56 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 110.605 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -37.33 87.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.526 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -59.29 -49.15 78.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.771 179.652 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.59 -59.73 4.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -32.21 18.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.204 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -75.34 -44.92 42.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.721 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.054 HD21 HD13 ' A' ' 54' ' ' LEU . 3.2 mm? -59.27 -43.29 92.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.414 ' HG1' ' HZ ' ' A' ' 31' ' ' PHE . 1.7 m -64.88 -40.33 94.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -60.36 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.595 ' CE1' HG21 ' A' ' 56' ' ' VAL . 1.1 p80 -69.35 -28.83 66.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.253 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -65.94 -21.26 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.251 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.098 179.927 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mtm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 1.2 tt0 -121.39 129.51 53.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.795 HD11 HG23 ' A' ' 21' ' ' THR . 1.3 pt? -123.47 147.62 47.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.45 155.63 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.688 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -131.72 153.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.214 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.677 ' O ' HG13 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -139.42 118.72 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.133 179.379 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.646 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -102.02 123.97 8.05 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.95 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -102.14 116.94 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.568 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.5 t30 67.72 34.74 4.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.85 HG21 ' CE ' ' A' ' 70' ' ' MET . 11.6 p -152.25 135.99 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.76 118.12 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.857 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.646 HD11 ' HA3' ' A' ' 7' ' ' GLY . 25.0 mm -81.71 96.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.47 140.09 29.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.765 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -38.3 -36.31 0.22 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.069 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -47.54 65.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.0 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.788 HD21 ' HE3' ' A' ' 70' ' ' MET . 4.4 tp -57.11 -67.3 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.11 -38.17 11.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.38 -45.57 93.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CZ ' ' HE3' ' A' ' 23' ' ' LYS . 59.7 t80 -54.27 -46.85 72.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 t -61.58 -51.66 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.783 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.795 HG23 HD11 ' A' ' 3' ' ' LEU . 2.9 m -63.81 -31.34 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.587 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.14 89.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.634 ' HB3' HG21 ' A' ' 78' ' ' ILE . 23.8 mmtt -65.07 -53.03 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.45 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.787 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 4.4 m-85 -53.0 -44.64 67.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.553 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.98 -55.62 22.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.759 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -28.44 27.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.784 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 82' ' ' ALA . 6.7 mp -80.39 -28.85 37.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.476 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.18 -14.02 22.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.492 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -72.01 -54.01 11.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.798 0.332 . . . . 0.0 111.013 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.1 p90 -93.55 -30.71 14.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.263 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.808 ' HB3' HD11 ' A' ' 34' ' ' ILE . 17.7 m-30 -91.99 118.15 30.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.834 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -108.78 4.05 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.306 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.769 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.7 mmp_? -100.29 57.78 0.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 110.999 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.808 HD11 ' HB3' ' A' ' 31' ' ' PHE . 3.6 mp -140.46 105.85 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -112.08 -54.84 2.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 2' ' ' GLN . 17.7 tt0 -125.37 116.27 21.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.675 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.787 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 3.2 t -126.12 134.08 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.459 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -128.11 125.08 38.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.578 179.257 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.688 ' HB ' HG22 ' A' ' 5' ' ' ILE . 19.2 t -124.0 144.25 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.31 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 6' ' ' THR . 21.6 t -140.42 134.37 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.194 0.521 . . . . 0.0 110.912 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.865 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.27 126.11 34.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.669 -179.014 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -102.43 138.42 39.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.325 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.4 t -119.67 109.61 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.41 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -128.82 152.51 48.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.611 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.03 -21.37 3.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.865 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.6 t -85.36 -84.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -129.48 153.78 47.64 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.917 0.389 . . . . 0.0 111.493 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -97.27 133.67 41.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.498 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.6 m -122.73 139.6 53.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 111.396 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.406 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 51.2 p -137.7 144.58 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.679 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.598 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.5 p30 -130.22 145.66 51.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.867 0.365 . . . . 0.0 111.085 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.723 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -132.54 140.73 48.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.425 ' CB ' ' CE2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -140.66 106.79 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.057 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.69 HD22 HD21 ' A' ' 85' ' ' LEU . 3.0 mp -101.46 145.74 28.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.008 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -107.64 140.12 41.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.769 HG13 ' HB3' ' A' ' 33' ' ' ARG . 35.1 t -136.06 152.85 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -59.95 104.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.032 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.09 -19.97 51.53 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.043 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.22 157.81 27.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.834 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -140.41 129.64 23.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 110.747 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.406 ' H ' HD12 ' A' ' 61' ' ' ILE . 3.6 mp -101.94 139.5 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.042 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.423 ' CG ' HG23 ' A' ' 53' ' ' THR . 2.5 t60 -133.53 112.28 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.48 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.641 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -135.38 163.37 30.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.221 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.3 p -140.64 150.85 44.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.323 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -141.07 150.73 43.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.001 0.429 . . . . 0.0 111.587 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -119.7 151.08 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.7 160.13 28.63 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.711 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -59.16 -17.27 25.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.593 0.235 . . . . 0.0 111.509 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -153.63 169.65 22.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.744 0.307 . . . . 0.0 110.764 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.85 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -59.76 -19.81 52.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.413 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -85.92 -40.06 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.83 -42.26 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 50' ' ' SER . . . -55.81 -40.36 72.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.411 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.9 mm -73.33 -32.63 38.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.91 -56.1 20.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.96 -28.19 70.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.4 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.745 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 13.0 tp -70.96 -43.96 67.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.634 HG21 ' HB3' ' A' ' 23' ' ' LYS . 46.7 mm -79.52 -15.45 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.68 -56.72 4.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -33.71 76.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.698 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -63.22 -47.89 80.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.561 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -57.53 -57.93 10.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -49.02 -33.82 11.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.34 -40.85 67.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.514 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -60.87 -41.91 96.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.735 179.704 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.614 HG23 ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.06 -41.77 99.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.719 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -55.47 24.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.478 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.5 p-80 -70.93 -25.26 62.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.276 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -70.76 -20.39 62.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.203 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.42 -28.14 60.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -66.74 -40.57 88.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.5 mp -65.51 -71.65 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -66.72 86.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -114.61 80.88 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.948 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 mmt . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.789 0.328 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.96 83.01 1.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.751 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.93 149.36 44.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -144.25 164.37 30.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.629 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.1 pt -134.7 154.23 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.821 ' O ' HG13 ' A' ' 40' ' ' VAL . 3.0 m -141.17 119.04 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.171 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.53 126.02 8.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.996 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -97.34 110.76 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.411 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.8 39.2 1.5 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.446 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.602 HG21 HG23 ' A' ' 43' ' ' VAL . 4.7 t -150.87 132.43 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -76.48 118.37 19.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -66.97 95.69 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 p -95.74 129.1 43.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.698 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -37.58 -34.12 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.21 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.32 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 111.323 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 16' ' ' LEU . 2.5 tm? -59.81 -58.83 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -56.07 -42.77 77.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.51 -44.68 89.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -56.34 -44.63 80.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.1 t -64.05 -57.84 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.819 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -60.16 -29.41 68.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.771 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.56 86.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.022 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.554 ' O ' HD13 ' A' ' 27' ' ' LEU . 6.5 mmtt -67.48 -49.25 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.587 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.593 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 4.8 m-85 -49.69 -47.47 50.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.804 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.43 -54.32 28.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.064 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -27.09 55.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 82' ' ' ALA . 10.8 mp -82.92 -25.04 32.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.657 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.06 -13.65 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.564 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -71.9 -47.48 52.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.719 0.295 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.1 p90 -102.35 2.7 37.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.811 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' HB3' HD11 ' A' ' 34' ' ' ILE . 15.4 m-30 -120.46 118.73 31.03 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.45 -27.73 9.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.914 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.686 HH21 HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -77.31 70.68 3.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.016 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.475 HD11 ' HB3' ' A' ' 31' ' ' PHE . 31.7 mt -141.48 123.1 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -128.55 -58.7 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.467 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.19 116.96 19.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 111.496 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 3.2 t -127.63 134.73 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -130.44 136.57 49.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.969 0.414 . . . . 0.0 111.105 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 51' ' ' ASP . 14.8 t -129.84 143.88 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.071 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 6' ' ' THR . 22.4 t -141.73 135.08 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.843 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.18 129.74 42.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.732 -178.862 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -106.65 139.27 41.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.301 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.602 HG23 HG21 ' A' ' 10' ' ' VAL . 54.8 t -117.59 118.74 59.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.179 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -136.89 152.64 50.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.5 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -45.72 -27.69 0.87 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.504 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -89.31 -128.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.49 155.2 23.5 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-O 120.92 0.39 . . . . 0.0 111.347 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -94.75 150.64 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.315 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -134.05 119.8 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 0.0 111.606 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.548 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -128.68 141.83 51.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.568 179.372 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.725 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.1 p30 -124.75 152.09 44.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.136 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -142.3 110.43 5.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.029 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -110.06 111.11 22.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.104 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.574 HD13 HD12 ' A' ' 81' ' ' LEU . 6.4 mp -100.61 145.37 28.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -103.89 137.84 41.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 m -140.47 155.22 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -67.94 106.92 2.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.18 -20.73 9.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.585 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.46 -174.05 42.61 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -140.46 131.78 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.18 140.68 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -133.36 112.16 11.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.834 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.715 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -125.84 155.37 41.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.87 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 149.02 41.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.473 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -142.56 159.2 42.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 111.455 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -122.08 149.59 43.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.626 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.11 157.27 27.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.68 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -16.14 27.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.532 0.206 . . . . 0.0 111.533 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -150.59 169.12 22.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.836 0.35 . . . . 0.0 110.717 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.596 ' CE ' HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -60.86 -19.51 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -89.97 -39.3 13.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 110.816 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.12 -46.17 85.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.548 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -54.17 -34.4 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 78' ' ' ILE . 35.4 mm -76.97 -30.45 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -54.96 19.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.762 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.41 -34.54 79.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 65.9 tp -70.22 -43.06 71.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 74' ' ' ILE . 2.8 tp -75.35 -17.24 15.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.347 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -78.5 -54.69 5.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -67.33 -28.91 68.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.759 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -66.75 -51.07 60.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.563 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.36 -56.2 24.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -52.63 -34.35 50.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.329 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -74.88 -45.14 44.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.967 0.413 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.8 mm? -57.97 -41.65 83.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.752 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.1 m -66.45 -40.01 89.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -52.04 -60.13 3.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.024 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.522 ' NE2' HD13 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -68.29 -20.33 64.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -72.99 -21.69 60.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.201 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.9 -22.74 31.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.069 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -58.51 -54.1 50.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.048 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.686 HD13 HH21 ' A' ' 33' ' ' ARG . 3.8 mp -72.8 65.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.79 164.16 25.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.21 116.82 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 30.1 m80 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.935 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.915 0.388 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -125.47 145.65 49.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.548 ' HA ' HG23 ' A' ' 37' ' ' VAL . 0.6 OUTLIER -119.5 139.69 51.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -119.51 122.49 41.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.0 mt -100.66 137.48 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.318 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' VAL . 2.4 m -152.0 118.24 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.773 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 136.59 11.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.344 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -84.62 109.47 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.4 t30 70.53 45.22 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.265 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.527 ' CG2' HG23 ' A' ' 43' ' ' VAL . 8.2 t -151.17 134.79 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.41 125.18 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.7 mm -76.64 97.14 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 p -96.98 144.95 26.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.733 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 3.3 mp0 -33.14 -55.22 0.4 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.3 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.45 78.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.18 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.83 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -55.62 -67.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.978 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -40.11 74.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 2.7 tt0 -62.07 -52.71 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.505 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE2' HD13 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -57.83 -45.12 86.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.225 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 16' ' ' LEU . 5.8 t -60.38 -49.48 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.023 0.439 . . . . 0.0 110.464 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -62.26 -30.02 70.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.292 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -54.12 -44.05 70.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.757 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.556 ' O ' HD13 ' A' ' 27' ' ' LEU . 17.7 mmtt -70.16 -55.0 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.58 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.558 ' HE2' HG11 ' A' ' 37' ' ' VAL . 4.1 m-85 -48.67 -51.77 26.71 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.057 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.67 51.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.911 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -26.78 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 23' ' ' LYS . 9.8 mp -82.04 -29.09 32.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.047 0.451 . . . . 0.0 110.689 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.92 -13.65 27.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.613 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.81 -57.99 4.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.716 0.293 . . . . 0.0 111.246 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.508 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -90.72 -11.76 38.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.808 -179.665 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.463 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 21.8 m-30 -106.13 119.53 39.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -107.92 -24.29 11.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -78.96 73.12 5.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.82 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.3 mt -143.04 123.48 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.0 -65.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -128.99 121.21 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -124.94 136.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -133.89 148.91 51.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.9 t -138.34 145.97 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 6' ' ' THR . 21.7 t -140.39 132.95 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.153 0.502 . . . . 0.0 111.131 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.836 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.75 127.65 37.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.057 -178.828 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -101.73 135.83 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.066 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.527 HG23 ' CG2' ' A' ' 10' ' ' VAL . 42.4 t -115.15 116.55 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 111.482 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -136.76 152.18 50.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.561 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -55.24 -19.63 8.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.809 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.7 t -84.69 -84.07 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 m -129.36 152.55 48.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.943 0.401 . . . . 0.0 111.416 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -96.29 133.39 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.396 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.3 m -127.03 138.75 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.939 0.4 . . . . 0.0 111.536 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.62 138.5 30.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.652 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.6 p30 -119.48 148.89 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.446 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -137.19 110.74 8.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 111.333 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.94 107.23 17.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.761 HD13 HD12 ' A' ' 81' ' ' LEU . 8.6 mp -98.33 144.68 27.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.902 0.382 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -105.52 138.64 41.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.985 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.524 HG11 ' CE1' ' A' ' 88' ' ' HIS . 21.7 t -131.58 156.33 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.035 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.444 ' N ' HG12 ' A' ' 56' ' ' VAL . 2.2 m120 -61.71 102.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.24 -15.35 62.32 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.882 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.88 157.95 26.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.671 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -139.59 124.96 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.755 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.551 HD11 ' CD2' ' A' ' 88' ' ' HIS . 3.5 mt -102.52 140.62 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -133.47 111.95 11.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.718 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.838 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -130.2 158.31 40.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.96 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -140.9 151.18 44.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.833 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -146.44 166.48 26.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.035 0.445 . . . . 0.0 111.359 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -137.79 159.82 40.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.642 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -160.09 171.27 36.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.663 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -61.73 -12.74 18.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -154.12 176.13 12.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.683 0.277 . . . . 0.0 110.664 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.576 ' HE1' HG12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -59.27 -52.63 64.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.953 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -59.65 -39.12 83.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.6 -55.81 27.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.264 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.44 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.385 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.576 HG12 ' HE1' ' A' ' 70' ' ' MET . 43.1 mm -77.88 -27.54 15.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -55.82 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.603 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.27 -33.18 81.8 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.437 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.833 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 17.6 tp -73.73 -45.9 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 74' ' ' ILE . 1.1 tp -67.97 -19.39 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.286 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -80.23 -48.36 13.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.411 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -65.54 -36.11 82.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.724 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -65.0 -51.89 59.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.58 4.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.868 0.366 . . . . 0.0 110.998 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -50.74 -32.49 19.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.3 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -74.95 -43.89 51.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 81' ' ' LEU . 3.0 mm? -61.69 -42.05 98.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.412 ' HA ' ' HG2' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -66.15 -41.56 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -61.37 2.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.914 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.551 ' CD2' HD11 ' A' ' 61' ' ' ILE . 2.6 p80 -67.13 -41.05 86.78 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -66.2 -17.51 64.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.629 0.252 . . . . 0.0 111.335 -179.573 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -36.85 48.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.922 0.391 . . . . 0.0 110.663 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -58.37 -53.96 52.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.8 mp -82.79 62.34 6.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -89.13 158.42 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.792 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.67 99.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.821 0.343 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -103.82 82.44 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.5 pt? -122.65 148.25 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.15 158.58 43.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.47 HD11 ' HB2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -125.75 153.69 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -135.68 162.89 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.234 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.92 125.55 2.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.951 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.1 p30 -96.33 116.13 28.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 5.7 t-20 85.44 -43.21 0.06 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.585 HG22 ' N ' ' A' ' 11' ' ' GLU . 10.5 p -95.64 167.59 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.585 ' N ' HG22 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -110.36 148.7 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.995 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.9 mm -80.73 102.87 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.4 p -94.75 142.55 27.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -36.86 -40.81 0.29 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.16 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -48.02 72.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.047 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.606 HD13 ' HG2' ' A' ' 70' ' ' MET . 20.2 tp -58.23 -60.18 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.661 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 5' ' ' ILE . 3.2 ptt180 -52.4 -41.14 62.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.749 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.2 mm-40 -63.47 -52.45 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -52.8 -49.25 66.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.3 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 16' ' ' LEU . 21.7 t -59.34 -44.66 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -71.21 -30.64 66.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.745 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.89 -44.74 82.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.491 ' O ' HD13 ' A' ' 27' ' ' LEU . 2.1 mmtt -72.12 -48.13 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.54 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CE1' HG11 ' A' ' 37' ' ' VAL . 1.7 m-85 -53.25 -46.37 69.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.631 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.41 71.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.766 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -28.24 67.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.468 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 82' ' ' ALA . 9.3 mp -84.32 -25.14 29.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.66 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.614 ' OE2' HD12 ' A' ' 34' ' ' ILE . 8.5 tp10 -65.95 -13.05 59.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.656 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -66.45 -49.76 65.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.714 0.292 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.51 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -101.64 2.51 38.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.859 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.533 ' HE2' HD23 ' A' ' 27' ' ' LEU . 22.0 m-30 -114.26 118.71 34.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.823 0.344 . . . . 0.0 111.007 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -108.52 -29.32 8.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.96 73.19 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.614 HD12 ' OE2' ' A' ' 28' ' ' GLU . 31.6 mt -144.3 116.66 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.07 -63.26 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.099 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.2 116.84 21.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.89 0.376 . . . . 0.0 111.26 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.501 HG11 ' CE1' ' A' ' 24' ' ' PHE . 20.4 t -124.86 133.05 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.11 137.19 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.992 0.425 . . . . 0.0 110.911 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 51' ' ' ASP . 22.2 t -130.83 145.16 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.182 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.474 ' C ' HD13 ' A' ' 41' ' ' LEU . 21.4 t -142.18 137.13 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.967 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.83 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.44 130.14 42.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.798 -179.027 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -101.38 133.93 45.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.359 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.418 HG21 ' HE2' ' A' ' 70' ' ' MET . 21.5 t -114.83 116.33 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -136.48 152.69 50.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.569 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -52.7 -20.02 2.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.918 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.2 t -86.55 -85.96 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.7 m -128.9 154.76 46.2 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.88 0.371 . . . . 0.0 111.474 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -98.87 135.17 40.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.5 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.5 m -129.63 142.93 50.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.875 0.369 . . . . 0.0 111.466 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.8 m -141.35 146.61 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.547 ' O ' HG13 ' A' ' 39' ' ' VAL . 2.3 p30 -128.26 143.52 51.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.698 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.915 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -139.01 110.35 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.973 0.416 . . . . 0.0 111.742 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.8 m -102.74 110.86 22.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.535 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.687 HD13 HD12 ' A' ' 81' ' ' LEU . 10.9 mp -97.09 145.91 25.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.942 0.401 . . . . 0.0 111.197 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.434 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 6.7 m-70 -108.36 138.13 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.887 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 59' ' ' GLY . 27.2 m -120.23 170.07 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -32.44 -54.18 0.33 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -141.51 41.36 1.24 Allowed Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.981 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.402 ' N ' HG23 ' A' ' 56' ' ' VAL . . . -158.89 168.49 35.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.348 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 14.6 mt-10 -136.5 116.37 13.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.974 0.416 . . . . 0.0 111.402 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.7 mt -103.72 139.16 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.417 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -134.04 111.99 10.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.608 0.242 . . . . 0.0 110.981 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.884 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -128.48 157.58 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.805 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.0 m -141.02 148.87 40.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.241 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -144.46 156.64 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 111.877 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.12 160.15 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.054 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' HA3' ' HB1' ' A' ' 72' ' ' ALA . . . -148.95 -67.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.205 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 179.73 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.53 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 1.5 p30 -140.65 176.68 8.59 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.779 0.323 . . . . 0.0 110.401 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.606 ' HG2' HD13 ' A' ' 16' ' ' LEU . 6.0 tpp -62.67 -23.12 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.418 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -90.95 -32.81 15.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.53 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -62.95 -49.87 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.029 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -31.2 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.0 mm -79.55 -24.49 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -52.82 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.733 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.92 -33.81 70.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.285 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.915 HD21 ' HB2' ' A' ' 52' ' ' ALA . 21.3 tp -68.75 -40.63 79.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.409 . . . . 0.0 110.652 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' A' ' 23' ' ' LYS . 38.2 mm -80.64 -13.71 12.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.114 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.21 -54.73 5.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.97 0.414 . . . . 0.0 110.491 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -68.06 -34.92 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.64 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.884 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -64.39 -48.56 74.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.928 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.552 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.82 -55.31 36.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.093 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -53.69 -32.73 52.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.401 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -76.85 -48.72 17.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.8 mm? -58.04 -42.78 86.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.838 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.7 m -66.37 -39.58 89.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -61.17 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.45 ' NE2' HD13 ' A' ' 85' ' ' LEU . 1.3 p80 -66.85 -26.68 67.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.188 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -19.91 63.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.284 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.66 -26.76 37.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -70.52 -48.74 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.8 mp -94.63 44.91 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.012 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -103.92 -36.24 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.69 -179.25 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.7 t60 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.948 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 mtm . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.772 0.32 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -140.9 -155.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.567 HD11 HG23 ' A' ' 21' ' ' THR . 1.8 pt? -110.12 143.09 40.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.54 167.84 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 mt -126.55 153.61 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.659 ' O ' HG13 ' A' ' 40' ' ' VAL . 1.3 m -129.71 118.91 22.62 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.58 123.76 8.01 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.123 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -114.94 109.46 18.16 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 t30 70.52 30.28 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.362 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG11 HD23 ' A' ' 41' ' ' LEU . 9.7 p -151.64 135.64 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.832 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.04 119.54 23.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.153 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.98 99.28 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.678 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -97.71 146.2 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -38.36 -33.48 0.1 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.991 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.28 -48.41 34.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.752 HD21 ' SD ' ' A' ' 70' ' ' MET . 0.9 OUTLIER -57.96 -66.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -38.61 23.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -62.81 -43.22 99.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -55.71 -47.11 77.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.2 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -61.39 -48.43 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.567 HG23 HD11 ' A' ' 3' ' ' LEU . 2.0 m -68.16 -32.42 72.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.29 -43.45 78.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HB3' HG21 ' A' ' 78' ' ' ILE . 16.4 mmtt -70.21 -51.74 28.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.606 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.8 m-85 -52.25 -45.58 65.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.579 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.35 69.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.716 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -27.96 58.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.483 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 8.5 mp -82.29 -27.91 32.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.525 ' HG2' HD13 ' A' ' 34' ' ' ILE . 2.6 mm-40 -63.88 -13.08 42.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.597 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.76 -56.32 8.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.765 0.317 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.483 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -89.41 -24.66 21.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.299 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.511 ' CZ ' HG23 ' A' ' 86' ' ' THR . 21.2 m-30 -92.89 127.1 38.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.729 0.3 . . . . 0.0 110.582 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -105.3 -31.5 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.012 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.764 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -70.28 66.53 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.971 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.525 HD13 ' HG2' ' A' ' 28' ' ' GLU . 26.7 mt -138.15 109.79 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -123.57 -58.94 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.57 116.68 20.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.981 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.606 HG11 ' CE1' ' A' ' 24' ' ' PHE . 22.1 t -130.95 135.56 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.29 132.91 47.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.067 0.46 . . . . 0.0 110.936 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 51' ' ' ASP . 13.4 t -123.16 144.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.296 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 6' ' ' THR . 23.1 t -141.54 131.95 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.011 0.434 . . . . 0.0 110.825 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.866 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.2 128.41 39.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.977 -178.748 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -103.9 138.56 40.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.202 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.48 HG13 ' CE1' ' A' ' 48' ' ' HIS . 25.6 t -119.89 114.32 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -132.89 152.72 51.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.459 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -51.53 -20.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.001 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.72 -85.23 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.2 m -129.09 154.22 46.89 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 111.42 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.48 ' CE1' HG13 ' A' ' 43' ' ' VAL . 6.1 m-70 -99.38 136.62 39.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.612 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.4 m -127.19 136.14 51.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.251 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -137.62 148.4 45.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.737 ' O ' HG13 ' A' ' 39' ' ' VAL . 2.9 p30 -132.62 158.4 42.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.761 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -152.08 110.89 3.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.036 0.446 . . . . 0.0 111.615 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -103.82 109.14 20.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.752 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.55 HD13 HD12 ' A' ' 81' ' ' LEU . 7.7 mp -95.71 143.99 26.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.949 0.404 . . . . 0.0 110.975 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -101.72 136.06 42.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.764 HG13 ' HB3' ' A' ' 33' ' ' ARG . 22.0 t -135.35 146.36 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -59.32 105.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.769 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.73 -21.39 42.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.138 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.65 163.96 30.14 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.909 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -137.61 127.98 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.723 0.297 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mt -102.37 138.91 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -133.18 112.22 11.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.652 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.858 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -125.77 156.89 38.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.698 0.285 . . . . 0.0 111.248 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -140.78 147.07 38.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.319 179.532 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -144.53 164.57 30.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 111.394 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.7 162.17 36.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.533 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.01 174.67 39.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.73 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -16.93 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.498 ' OD1' ' HB2' ' A' ' 72' ' ' ALA . 6.2 p-10 -153.41 174.32 14.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 110.6 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.752 ' SD ' HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -60.52 -53.33 58.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.934 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.613 ' CE1' HD22 ' A' ' 16' ' ' LEU . 58.4 m-85 -58.24 -40.01 80.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB2' ' OD1' ' A' ' 69' ' ' ASP . . . -55.82 -53.47 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.88 -34.54 55.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.311 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.49 -29.81 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -68.62 -53.47 22.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.787 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.29 -31.72 68.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.398 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.761 HD11 ' HB3' ' A' ' 52' ' ' ALA . 3.2 tm? -69.19 -41.54 77.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.471 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 23' ' ' LYS . 43.0 mm -79.99 -14.81 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.83 -55.95 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 110.62 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -32.47 73.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.708 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.858 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -63.84 -48.28 77.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.814 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -55.87 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -52.7 -33.91 49.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.299 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -45.68 39.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.77 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 88' ' ' HIS . 0.6 OUTLIER -59.59 -41.0 89.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.84 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -66.54 -40.53 89.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -54.82 42.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.828 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.461 ' CD2' ' HA ' ' A' ' 85' ' ' LEU . 2.9 p80 -72.37 -42.17 65.57 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.458 ' CG ' ' HA ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -63.38 -17.31 62.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.508 -179.494 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.31 -44.97 70.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.789 0.328 . . . . 0.0 111.022 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.681 ' HG2' HD12 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -58.23 -21.69 49.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.681 HD12 ' HG2' ' A' ' 91' ' ' LYS . 2.9 mp -96.43 36.23 1.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.348 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -111.01 -31.42 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -121.92 135.99 54.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.912 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.796 0.331 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.25 -86.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.024 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.613 HD21 HG23 ' A' ' 21' ' ' THR . 0.7 OUTLIER -123.23 141.48 51.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.793 0.33 . . . . 0.0 111.095 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -121.93 128.27 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.739 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.1 mt -102.0 137.62 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.468 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 2.8 m -151.85 118.31 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.753 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.0 136.73 10.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.17 -1.014 . . . . 0.0 113.489 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -84.45 109.73 18.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 t30 71.57 44.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.073 0.463 . . . . 0.0 110.191 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 43' ' ' VAL . 16.6 t -151.57 135.61 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.74 126.01 36.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -79.33 98.41 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.8 p -103.46 153.87 20.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -33.01 -53.99 0.37 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.256 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.24 82.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.709 HD21 ' SD ' ' A' ' 70' ' ' MET . 0.1 OUTLIER -56.99 -55.27 36.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.3 ptp180 -61.39 -42.46 98.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 3.8 mm-40 -61.93 -55.52 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -45.77 -53.77 9.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.828 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 16' ' ' LEU . 13.1 t -61.48 -53.09 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.264 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.613 HG23 HD21 ' A' ' 3' ' ' LEU . 38.8 m -60.03 -31.09 69.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.18 89.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.856 ' HB3' HG21 ' A' ' 78' ' ' ILE . 10.8 mmtt -67.26 -55.23 14.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.83 -47.94 60.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.04 47.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.0 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -28.47 41.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD23 ' HE2' ' A' ' 31' ' ' PHE . 7.9 mp -81.32 -29.74 34.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.34 -14.64 41.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.635 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.14 -59.48 2.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.342 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.47 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.1 p90 -87.63 2.39 51.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.94 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.629 ' CB ' HD11 ' A' ' 34' ' ' ILE . 15.3 m-30 -116.13 118.29 32.44 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.656 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.81 4.12 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.556 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.33 62.18 0.63 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 111.092 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.629 HD11 ' CB ' ' A' ' 31' ' ' PHE . 4.4 mt -128.97 123.64 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -121.99 -62.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.104 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -128.87 118.25 22.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -127.84 136.27 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -134.23 148.9 50.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.997 0.427 . . . . 0.0 111.076 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.9 t -136.33 145.75 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.15 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 6' ' ' THR . 20.6 t -142.67 131.35 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 111.144 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.848 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.64 129.16 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.979 -178.847 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -100.83 137.96 38.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.097 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.483 HG23 ' CG2' ' A' ' 10' ' ' VAL . 40.1 t -117.5 110.31 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.473 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -130.27 152.33 49.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.425 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -20.73 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.819 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -84.5 -84.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.7 m -129.49 152.6 48.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.865 0.364 . . . . 0.0 111.447 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -97.23 132.05 43.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.241 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.4 m -125.68 139.57 53.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.571 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.409 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 8.9 m -140.36 139.39 35.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.766 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -119.1 145.63 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.04 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.861 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -133.52 110.99 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.321 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.4 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 4.5 m -110.66 106.11 15.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.704 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.642 HD13 HD12 ' A' ' 81' ' ' LEU . 6.1 mp -100.02 145.7 27.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -94.35 125.02 38.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.826 HG13 ' CE1' ' A' ' 88' ' ' HIS . 2.1 t -105.65 168.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.777 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.533 ' H ' HG12 ' A' ' 56' ' ' VAL . 8.7 m120 -47.06 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.192 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.47 29.19 9.3 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.508 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -165.43 174.87 41.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -140.31 130.31 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -102.14 137.95 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.0 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -133.52 112.3 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.833 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -128.18 159.89 33.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.823 0.344 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 m -140.61 120.23 13.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.329 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -111.9 143.53 42.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.013 0.435 . . . . 0.0 111.441 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.23 149.23 30.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.565 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.48 159.05 27.96 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.705 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.51 -16.11 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.533 0.206 . . . . 0.0 111.46 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.61 167.73 26.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.745 0.307 . . . . 0.0 110.816 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.709 ' SD ' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.95 -19.79 53.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.212 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -86.8 -38.23 17.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.758 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.87 94.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -54.29 -38.26 65.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.315 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.9 mm -73.93 -35.11 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -56.75 17.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.693 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.48 -26.82 73.55 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.288 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.861 HD11 ' HB3' ' A' ' 52' ' ' ALA . 13.5 tp -69.47 -44.65 70.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.066 0.46 . . . . 0.0 110.843 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' A' ' 23' ' ' LYS . 49.9 mm -80.15 -14.64 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.109 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.9 -58.25 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.314 . . . . 0.0 110.434 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -32.86 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.737 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -63.23 -47.79 81.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.816 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.528 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -57.85 -57.64 11.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -50.2 -33.62 19.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -75.63 -44.88 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.608 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.451 ' HA ' ' CD2' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -58.84 -44.48 90.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.772 179.759 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.9 m -63.09 -41.42 99.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -52.21 -54.14 34.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.826 ' CE1' HG13 ' A' ' 56' ' ' VAL . 2.3 p80 -73.93 -16.82 61.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.304 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -24.83 58.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.323 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -83.93 -19.51 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.289 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 88' ' ' HIS . 1.0 OUTLIER -57.1 -54.03 51.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.82 0.343 . . . . 0.0 110.998 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.5 mt -85.63 -66.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.22 12.27 8.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.453 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.34 38.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.767 0.318 . . . . 0.0 110.959 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.0 m170 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.94 179.855 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.792 0.33 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.0 86.31 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.75 147.32 44.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -142.21 159.95 41.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.54 HD11 ' HB3' ' A' ' 17' ' ' ARG . 1.1 pt -131.88 154.07 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.772 ' O ' HG13 ' A' ' 40' ' ' VAL . 89.6 m -139.2 118.57 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.852 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.692 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -100.39 130.34 10.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.976 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 8' ' ' ASN . 3.0 p30 -107.89 109.96 21.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 110.519 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.8 t30 72.21 34.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.667 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.83 HG21 ' CE ' ' A' ' 70' ' ' MET . 10.8 p -152.03 135.62 8.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.936 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.28 119.58 17.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.692 HD11 ' HA3' ' A' ' 7' ' ' GLY . 24.6 mm -82.5 93.84 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -98.14 145.56 26.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -36.95 -43.69 0.47 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.32 -45.12 76.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.987 0.422 . . . . 0.0 111.067 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.831 ' O ' HG23 ' A' ' 20' ' ' VAL . 10.4 tp -55.83 -67.77 0.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.915 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HB3' HD11 ' A' ' 5' ' ' ILE . 6.8 ptm180 -52.1 -39.52 59.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.745 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -64.01 -55.21 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.452 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.702 ' HE2' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.44 -45.9 90.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.334 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 16' ' ' LEU . 5.5 t -63.52 -51.88 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 110.608 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.8 m -62.83 -38.21 89.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.402 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.89 -40.09 63.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HB3' HG21 ' A' ' 78' ' ' ILE . 5.5 mmtt -67.37 -54.19 22.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.31 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.729 ' CE1' HG11 ' A' ' 37' ' ' VAL . 3.3 m-85 -52.19 -44.17 64.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.499 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.03 -52.63 62.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.707 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.71 -28.09 20.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.745 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 82' ' ' ALA . 6.7 mp -81.81 -29.83 32.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.41 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.12 -13.99 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.524 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -72.05 -53.6 12.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.2 p90 -93.52 -24.23 18.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.398 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.743 ' HB3' HD11 ' A' ' 34' ' ' ILE . 21.3 m-30 -101.21 118.79 37.68 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.678 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.22 -1.38 20.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.391 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.63 ' O ' HG12 ' A' ' 56' ' ' VAL . 11.3 mtt-85 -90.45 50.74 1.88 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.743 HD11 ' HB3' ' A' ' 31' ' ' PHE . 3.5 mp -139.0 113.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -113.32 -56.12 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -126.32 116.76 21.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.729 HG11 ' CE1' ' A' ' 24' ' ' PHE . 18.9 t -122.05 134.08 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.4 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -128.9 125.66 38.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 51' ' ' ASP . 6.7 t -122.3 146.76 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.525 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.772 HG13 ' O ' ' A' ' 6' ' ' THR . 21.3 t -141.81 134.27 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.21 0.529 . . . . 0.0 110.793 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.848 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.32 129.37 41.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.801 -178.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -108.27 137.12 46.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -117.65 116.92 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.242 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -136.63 152.97 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.676 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -53.64 -17.4 2.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.13 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -85.53 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.0 m -128.9 153.73 47.21 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.864 0.364 . . . . 0.0 111.45 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -95.82 140.19 30.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 m -128.1 131.69 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 111.48 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -134.17 143.16 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.571 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.676 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.1 p30 -133.4 149.77 51.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.803 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.783 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -147.48 110.96 4.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.04 0.448 . . . . 0.0 111.689 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.408 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.9 m -103.18 111.89 24.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.719 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.817 HD13 HD12 ' A' ' 81' ' ' LEU . 5.2 mp -100.1 145.91 27.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 111.211 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.441 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 14.2 m-70 -105.2 135.91 45.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.779 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 33' ' ' ARG . 20.7 m -140.86 117.49 7.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.251 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m120 39.77 -94.89 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.824 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.47 33.11 4.43 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.7 158.44 27.06 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.213 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 1.9 mp0 -137.93 118.93 14.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 0.0 111.213 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 mp -102.22 141.86 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.507 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -132.73 112.16 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.701 0.286 . . . . 0.0 111.112 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.904 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -123.48 148.9 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.834 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.4 m -141.53 126.98 18.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.472 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -121.92 164.96 16.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.995 0.426 . . . . 0.0 111.409 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.18 148.57 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.395 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.77 156.77 27.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.688 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -56.76 -17.34 8.76 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.99 173.17 14.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.817 0.341 . . . . 0.0 110.827 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.83 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -63.88 -17.86 63.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.453 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -90.31 -38.16 13.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.933 0.397 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.05 79.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.87 -33.77 62.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.411 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 50.2 mm -79.69 -29.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -65.25 -54.76 24.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.556 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.11 -35.34 83.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.571 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.783 HD11 ' HB3' ' A' ' 52' ' ' ALA . 2.1 tm? -69.55 -41.93 75.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 110.743 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.455 HG21 ' HB3' ' A' ' 23' ' ' LYS . 30.7 mm -75.33 -17.31 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -78.17 -53.51 7.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.33 . . . . 0.0 110.719 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 65' ' ' ALA . 7.9 ptpt -68.61 -31.21 70.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.904 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -64.89 -48.82 72.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.509 179.616 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.592 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.06 -56.87 15.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.75 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -51.31 -32.03 23.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -72.45 -39.46 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.531 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 81' ' ' LEU . 1.7 mp -60.84 -40.71 93.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.627 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.492 HG23 ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -65.6 -39.28 91.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.684 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -61.41 2.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.234 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.46 ' CE1' ' HD2' ' A' ' 33' ' ' ARG . 2.4 p80 -69.43 -20.1 63.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.442 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -18.9 44.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.319 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.9 -44.84 60.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.031 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -32.04 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.94 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mt -110.96 85.03 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -100.05 -179.33 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -128.98 122.47 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.902 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -113.9 106.75 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.727 HD11 HG23 ' A' ' 21' ' ' THR . 2.6 pt? -122.76 147.14 46.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.62 156.92 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.7 mt -120.6 151.23 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.634 ' O ' HG13 ' A' ' 40' ' ' VAL . 4.0 m -151.68 118.61 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . -114.53 139.28 15.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.246 -0.978 . . . . 0.0 113.518 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -98.6 109.59 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 110.257 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.0 t30 72.62 38.13 0.81 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.716 HG11 HD23 ' A' ' 41' ' ' LEU . 8.7 p -152.01 136.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.94 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -86.97 125.79 34.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 111.202 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.0 mm -89.3 101.25 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.417 ' OG1' HD23 ' A' ' 16' ' ' LEU . 16.5 p -99.91 150.22 22.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -34.51 -44.38 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.65 73.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.707 HD12 ' HE3' ' A' ' 70' ' ' MET . 3.5 mm? -59.89 -56.0 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -58.91 -43.63 91.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -60.74 -46.94 88.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 71' ' ' TYR . 29.3 t80 -51.65 -48.17 63.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.39 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 t -62.41 -52.99 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.727 HG23 HD11 ' A' ' 3' ' ' LEU . 2.1 m -63.34 -29.73 70.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.044 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -46.02 91.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.178 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.615 ' HB3' HG21 ' A' ' 78' ' ' ILE . 42.5 mmtt -66.39 -52.47 46.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.668 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.72 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 2.6 m-85 -51.26 -44.75 61.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.59 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.14 -55.25 25.59 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.908 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.92 -28.09 21.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 6.4 mp -80.52 -28.47 37.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.061 0.457 . . . . 0.0 110.58 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -14.01 25.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.467 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -72.19 -55.1 7.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.1 p90 -91.9 -26.41 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.396 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.79 ' HB3' HD11 ' A' ' 34' ' ' ILE . 20.7 m-30 -98.85 118.6 35.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.932 0.396 . . . . 0.0 110.697 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -108.43 -12.49 15.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.305 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.934 ' HB3' HG23 ' A' ' 56' ' ' VAL . 1.1 mmp_? -81.9 58.52 3.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.917 0.389 . . . . 0.0 111.079 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.79 HD11 ' HB3' ' A' ' 31' ' ' PHE . 3.7 mp -140.88 115.42 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.006 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -117.25 -56.42 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.741 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.27 116.52 21.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.72 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 4.6 t -125.54 134.77 65.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -129.96 129.82 44.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 179.514 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.45 147.19 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.439 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 6' ' ' THR . 21.8 t -143.55 130.49 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.208 0.528 . . . . 0.0 110.671 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.871 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.41 129.7 41.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.747 -178.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -105.29 131.58 52.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.29 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.44 HG23 ' HB ' ' A' ' 10' ' ' VAL . 22.0 t -114.64 114.17 45.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.419 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 47' ' ' THR . 8.1 pt-20 -135.9 152.45 51.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.567 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -54.51 -19.77 6.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.824 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -83.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 1.2 m -129.09 151.76 49.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.947 0.403 . . . . 0.0 111.465 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 22.9 m-70 -99.93 133.45 44.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.258 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.8 m -128.99 140.15 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.105 0.478 . . . . 0.0 111.829 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.655 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 18.3 p -134.81 144.45 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.492 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 3.0 p30 -136.0 150.93 49.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.865 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.813 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -148.94 116.04 6.06 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.257 0.551 . . . . 0.0 111.736 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.446 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 10.6 m -102.25 111.34 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.444 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.631 ' CD2' HD11 ' A' ' 85' ' ' LEU . 7.0 mp -101.03 146.12 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.032 0.444 . . . . 0.0 111.36 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.428 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 18.7 m-70 -105.97 136.9 44.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.753 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.934 HG23 ' HB3' ' A' ' 33' ' ' ARG . 8.2 p -140.81 117.45 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.399 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 39.65 -95.07 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.945 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -119.12 33.43 4.72 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.655 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.99 161.4 28.57 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.187 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 3.5 mt-10 -140.12 122.8 16.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mt -102.04 141.36 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -133.35 111.86 11.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.981 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -123.76 155.19 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.651 0.262 . . . . 0.0 111.158 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 77.7 p -141.17 118.06 11.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.355 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.766 ' N ' HD23 ' A' ' 77' ' ' LEU . . . -115.32 157.56 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 111.562 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -136.3 160.85 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.485 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.25 -107.55 0.49 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.384 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -131.62 -16.83 2.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.641 0.258 . . . . 0.0 111.145 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 5.9 p-10 -157.85 176.95 11.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.301 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.707 ' HE3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -53.18 -57.54 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.688 0.28 . . . . 0.0 111.175 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -53.88 -43.3 69.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.423 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.432 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -60.83 -48.51 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.337 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.655 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -52.25 -32.75 38.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.57 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.5 mm -71.4 -50.55 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.46 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -51.18 -53.74 32.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.583 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.97 -46.46 94.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.801 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 52' ' ' ALA . 1.7 tm? -62.14 -41.41 98.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.742 0.306 . . . . 0.0 111.296 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.615 HG21 ' HB3' ' A' ' 23' ' ' LYS . 39.1 mm -69.5 -19.71 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 111.145 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -76.7 -54.3 6.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 0.0 110.534 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -62.98 -40.35 97.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.785 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.981 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -59.45 -47.85 83.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.977 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -54.98 -63.1 1.26 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.876 0.369 . . . . 0.0 111.015 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 mmm-85 -49.61 -30.71 9.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -73.01 -39.42 66.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.644 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.832 HD12 ' O ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -60.69 -42.51 97.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.796 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.0 m -65.32 -39.07 91.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.721 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -54.66 -61.87 2.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.286 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.619 ' CE1' HG21 ' A' ' 56' ' ' VAL . 2.3 p80 -67.68 -24.86 65.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.407 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -75.78 -15.56 60.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.251 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -73.12 -40.38 64.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.92 -29.63 56.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.055 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.92 59.26 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -146.71 122.06 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -142.27 33.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.985 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mtt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.75 0.309 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -93.01 59.76 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.672 ' CD1' HG23 ' A' ' 21' ' ' THR . 0.7 OUTLIER -96.89 133.02 42.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -132.09 138.34 48.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.69 153.01 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.815 ' O ' HG13 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -134.26 118.95 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.056 179.432 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.795 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -98.97 123.99 8.08 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.993 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.497 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 10.5 p30 -107.04 111.62 24.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.427 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.4 t30 65.21 37.63 6.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.673 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.78 HG21 ' CE ' ' A' ' 70' ' ' MET . 9.3 p -151.46 133.83 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.87 116.71 13.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.795 HD11 ' HA3' ' A' ' 7' ' ' GLY . 26.0 mm -80.31 94.04 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.78 141.89 28.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.713 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.06 -38.3 0.32 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.091 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -46.64 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.486 HD11 ' HE3' ' A' ' 70' ' ' MET . 3.8 tp -56.84 -68.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 5.7 ptt-85 -47.47 -38.05 12.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.1 mt-10 -61.17 -47.49 85.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -54.55 -46.78 73.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 t -62.14 -52.82 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.672 HG23 ' CD1' ' A' ' 3' ' ' LEU . 1.5 m -63.25 -31.3 72.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.62 91.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.584 ' HB3' HG21 ' A' ' 78' ' ' ILE . 26.2 mmtt -65.61 -54.03 33.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.592 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -51.8 -44.37 63.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.701 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.32 -54.65 33.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -54.03 -28.19 36.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 23' ' ' LYS . 8.9 mp -82.57 -27.92 31.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.643 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -13.78 46.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.623 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -68.46 -58.28 4.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.863 0.364 . . . . 0.0 110.961 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 1.3 p90 -86.57 -12.41 48.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.494 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CB ' HD11 ' A' ' 34' ' ' ILE . 18.2 m-30 -103.72 119.94 39.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.703 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -107.67 -27.3 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -78.44 65.89 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.567 HD11 ' CB ' ' A' ' 31' ' ' PHE . 28.6 mt -138.89 123.22 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -124.7 -57.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.162 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -129.03 117.1 20.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.913 0.387 . . . . 0.0 111.004 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -123.66 136.08 61.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.78 137.69 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.981 0.42 . . . . 0.0 110.983 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.701 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.1 t -135.96 146.16 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.096 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 6' ' ' THR . 21.5 t -143.84 137.12 24.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.166 0.508 . . . . 0.0 111.106 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.805 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.37 130.98 43.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.901 -179.087 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 8.5 ttpt -102.79 134.81 45.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.107 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.1 t -115.39 116.39 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.608 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.79 152.27 50.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.511 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.05 -21.11 4.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.813 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.1 t -84.63 -84.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -129.53 154.26 47.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.036 0.446 . . . . 0.0 111.398 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 69' ' ' ASP . 7.5 m-70 -101.88 134.09 45.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.32 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.7 m -129.2 142.13 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.03 0.443 . . . . 0.0 111.614 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -137.86 145.14 41.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.784 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.701 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.0 p30 -122.98 147.27 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.08 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.795 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -132.81 141.03 48.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.255 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.715 HG23 ' CG ' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -140.47 105.99 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.956 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.753 HD13 HD21 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -100.37 143.66 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 111.048 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -104.09 138.05 41.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.421 HG13 ' CB ' ' A' ' 33' ' ' ARG . 9.6 t -135.74 153.13 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.68 106.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.67 -22.21 40.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.918 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.89 163.13 29.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.738 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -140.4 132.0 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.66 0.267 . . . . 0.0 110.828 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 mp -101.49 137.69 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.09 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.715 ' CG ' HG23 ' A' ' 53' ' ' THR . 0.9 OUTLIER -133.89 112.06 10.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.497 179.338 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -140.81 166.14 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.252 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 m -140.64 150.32 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.157 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HB3' ' CA ' ' A' ' 77' ' ' LEU . . . -141.74 154.53 45.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.101 0.477 . . . . 0.0 111.635 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -138.24 162.6 33.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.429 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.82 -99.74 0.23 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.606 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.532 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 32.8 tt0 -139.69 -21.7 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.439 ' HA ' ' CG ' ' A' ' 48' ' ' HIS . 3.7 p-10 -153.63 176.59 11.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.712 0.291 . . . . 0.0 110.596 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.78 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -58.01 -23.3 53.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.498 -179.693 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -85.19 -41.53 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.024 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.532 ' HB3' ' H ' ' A' ' 68' ' ' GLN . . . -68.69 -39.48 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.43 73.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.1 mm -75.66 -31.29 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.776 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -55.15 29.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.701 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.46 -29.07 71.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.364 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.795 HD11 ' CB ' ' A' ' 52' ' ' ALA . 16.4 tp -68.03 -42.97 79.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.625 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.584 HG21 ' HB3' ' A' ' 23' ' ' LYS . 46.8 mm -79.95 -15.7 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.106 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.58 -59.03 2.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.446 ' HE2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -65.81 -35.95 82.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.638 HD12 HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -61.18 -49.68 76.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.752 179.702 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -54.6 -58.78 6.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.051 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -49.7 -32.21 12.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.77 -45.87 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.753 HD21 HD13 ' A' ' 54' ' ' LEU . 3.0 mm? -59.1 -43.99 91.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.95 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.562 HG23 ' CE1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -67.03 -41.47 86.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.287 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -53.03 -64.61 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.451 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.407 ' CG ' ' N ' ' A' ' 89' ' ' LYS . 5.0 p80 -62.04 -42.59 99.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.074 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 88' ' ' HIS . 0.8 OUTLIER -58.86 -20.31 49.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.279 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -76.62 -33.51 58.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.868 0.366 . . . . 0.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -54.81 -30.06 56.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.071 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.95 -73.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.8 -78.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.45 -178.93 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.8 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.923 0.392 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.69 76.73 1.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.719 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.73 148.85 44.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.042 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -145.31 164.96 29.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.53 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -129.98 153.73 39.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.85 ' O ' HG13 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -134.45 119.01 18.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.307 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -101.74 120.14 6.74 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.968 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -104.44 111.71 24.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 0.0 110.433 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 68.39 33.42 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.53 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.766 HG21 ' CE ' ' A' ' 70' ' ' MET . 9.6 p -151.35 134.33 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.15 116.9 18.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.425 HD11 ' HA3' ' A' ' 7' ' ' GLY . 25.3 mm -72.83 94.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -91.46 134.63 34.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.621 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -37.34 -35.53 0.12 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.071 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -47.21 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.172 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.492 HD21 ' HG2' ' A' ' 70' ' ' MET . 0.2 OUTLIER -59.41 -57.19 14.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 2.3 ptm180 -55.84 -42.38 75.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 1.2 mm-40 -58.53 -45.01 89.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -57.43 -44.71 84.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 16' ' ' LEU . 20.1 t -61.56 -53.13 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 m -63.03 -30.32 71.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.98 86.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.602 ' HB3' HG21 ' A' ' 78' ' ' ILE . 9.5 mmtt -67.42 -51.05 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.726 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.7 m-85 -51.93 -46.59 64.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.37 -51.98 55.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.622 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.13 -29.13 43.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 8.1 mp -78.61 -32.24 47.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.457 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -14.94 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.636 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -72.71 -53.0 12.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.733 0.302 . . . . 0.0 110.967 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.9 p90 -95.46 -23.96 16.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.412 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 85' ' ' LEU . 12.0 m-85 -99.14 118.86 36.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.74 -27.74 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -70.48 66.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.1 mt -139.46 111.88 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.95 -58.91 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.84 116.53 21.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.837 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.726 HG11 ' CE1' ' A' ' 24' ' ' PHE . 11.6 t -127.37 134.47 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.63 132.87 46.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.704 179.457 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 51' ' ' ASP . 17.2 t -127.26 145.22 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.371 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.85 HG13 ' O ' ' A' ' 6' ' ' THR . 26.6 t -142.82 136.13 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.854 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.29 128.77 40.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.704 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -106.58 141.04 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.516 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.8 t -120.17 113.66 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.366 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 47' ' ' THR . 8.4 pt-20 -132.72 152.74 51.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.561 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -20.37 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.157 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.2 t -88.24 -84.8 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.418 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 13.1 t -130.09 154.08 47.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.976 0.417 . . . . 0.0 111.582 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -94.71 138.1 32.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.231 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.1 m -126.87 130.67 50.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.937 0.399 . . . . 0.0 111.566 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.0 p -130.08 145.32 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.458 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.543 ' O ' HG13 ' A' ' 39' ' ' VAL . 7.4 p30 -127.98 143.04 51.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.18 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.859 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -135.22 110.82 9.2 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.451 HG23 ' CG ' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -112.07 108.2 17.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.112 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.643 HD22 HD11 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -99.21 145.44 27.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -101.0 133.49 45.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 57' ' ' ASN . 21.6 t -132.94 154.56 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.409 ' N ' HG12 ' A' ' 56' ' ' VAL . 79.4 m-20 -69.09 103.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.16 -20.38 30.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.666 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.49 170.93 36.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.606 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -140.56 134.95 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.648 0.261 . . . . 0.0 110.598 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.408 HD11 HG21 ' A' ' 56' ' ' VAL . 3.0 mp -101.83 136.66 32.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 111.2 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.451 ' CG ' HG23 ' A' ' 53' ' ' THR . 3.8 t-160 -133.57 112.56 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.507 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.717 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -137.43 164.12 29.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.876 0.37 . . . . 0.0 111.322 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.7 p -140.61 153.17 45.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.404 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -143.69 134.02 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 111.488 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -104.95 155.44 18.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.585 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.68 167.16 33.57 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.664 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -61.96 -14.76 38.05 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.703 0.261 . . . . 0.0 111.703 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -156.84 176.01 13.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.766 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -63.62 -17.13 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.33 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -87.6 -40.31 14.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.829 0.347 . . . . 0.0 110.804 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.34 92.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.22 -39.64 66.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.0 mm -72.6 -32.52 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.898 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -56.45 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.09 -22.09 78.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.247 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.859 HD11 ' CB ' ' A' ' 52' ' ' ALA . 13.3 tp -73.94 -45.65 49.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.701 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.602 HG21 ' HB3' ' A' ' 23' ' ' LYS . 49.8 mm -79.06 -15.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.09 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.83 -57.22 3.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 110.536 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -65.64 -33.32 75.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -65.36 -47.54 76.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.019 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.68 -56.52 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 111.001 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -51.06 -35.87 36.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.357 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -74.01 -44.48 54.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 110.38 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.643 HD11 HD22 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -57.79 -43.04 85.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.485 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.24 99.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.744 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -51.11 -53.45 34.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.77 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.467 ' CD2' ' HA ' ' A' ' 85' ' ' LEU . 2.6 p80 -75.45 -20.92 58.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -26.03 67.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.07 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -24.67 62.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.013 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.68 ' HB3' HD12 ' A' ' 92' ' ' LEU . 7.7 tttt -55.28 -30.34 59.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' ' 91' ' ' LYS . 4.8 mp -131.94 83.24 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.44 -45.81 2.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.85 139.54 58.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 72.0 m80 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.144 -0.932 . . . . 0.0 110.929 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.822 0.344 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -112.53 106.23 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.4 pt? -123.37 147.26 47.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -139.51 154.6 47.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.3 mt -117.82 149.43 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.308 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 3.0 m -151.72 118.28 5.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.736 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.43 136.59 12.95 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.511 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -90.53 109.34 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 70.51 41.61 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.528 ' CG2' HG23 ' A' ' 43' ' ' VAL . 6.0 t -151.22 134.54 7.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -88.74 124.27 33.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.966 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -71.77 109.95 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.8 p -114.09 144.93 42.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -33.25 -51.95 0.35 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.33 85.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -56.03 -53.68 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.851 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -67.46 -41.48 84.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.788 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.58 -55.86 23.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.456 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -51.2 -48.78 61.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.088 -179.346 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 16' ' ' LEU . 24.6 t -60.65 -52.57 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.21 0.529 . . . . 0.0 110.364 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -59.85 -23.59 63.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.619 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -55.74 -45.69 77.96 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.792 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.855 ' O ' HD13 ' A' ' 27' ' ' LEU . 15.0 mmtm -72.55 -43.15 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.945 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.587 ' CE1' HG11 ' A' ' 37' ' ' VAL . 5.4 m-85 -62.67 -13.44 32.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.101 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.26 -54.36 5.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.949 0.404 . . . . 0.0 110.32 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -68.0 -15.98 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.942 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.855 HD13 ' O ' ' A' ' 23' ' ' LYS . 10.6 mp -87.58 -37.14 17.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.526 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.28 -15.72 17.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.35 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -55.92 8.58 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.597 0.237 . . . . 0.0 111.16 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.4 p90 -90.22 -23.37 21.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.507 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 18.5 m-30 -93.47 118.79 31.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.806 0.336 . . . . 0.0 110.649 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.08 -31.69 9.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.72 69.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.9 mt -141.08 111.16 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -120.99 -56.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.722 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -127.5 116.55 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.769 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.587 HG11 ' CE1' ' A' ' 24' ' ' PHE . 2.9 t -124.24 135.8 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.486 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.54 129.8 41.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.095 0.474 . . . . 0.0 110.948 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.7 t -119.27 146.92 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.032 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.48 ' C ' HD13 ' A' ' 41' ' ' LEU . 21.4 t -144.54 131.13 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-O 121.301 0.572 . . . . 0.0 111.082 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.883 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.51 129.29 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.67 -178.88 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -107.1 138.27 43.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.326 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.62 HG22 ' CE ' ' A' ' 70' ' ' MET . 39.9 t -117.65 117.66 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.255 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -136.69 152.73 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.655 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -17.59 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.947 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -84.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 m -129.1 152.72 48.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 111.577 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -94.52 137.61 33.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.353 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.4 m -130.94 134.67 46.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.056 0.455 . . . . 0.0 111.719 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.637 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 87.7 p -134.22 147.64 50.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.547 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -136.48 145.25 44.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.444 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -141.17 111.22 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.988 0.423 . . . . 0.0 111.42 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.421 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 4.4 m -105.01 112.04 25.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.51 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.686 HD13 ' CD2' ' A' ' 81' ' ' LEU . 7.1 mp -99.8 145.73 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.928 0.394 . . . . 0.0 111.287 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -94.25 129.09 41.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG12 ' H ' ' A' ' 57' ' ' ASN . 2.7 t -105.55 166.29 3.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.485 ' H ' HG12 ' A' ' 56' ' ' VAL . 52.7 m-20 -46.63 -71.06 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.09 30.46 8.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.246 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.73 177.34 42.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.377 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.59 128.41 21.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.73 0.3 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.527 HD11 ' NE2' ' A' ' 88' ' ' HIS . 14.3 mt -102.09 141.7 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.411 ' CE1' ' HG1' ' A' ' 53' ' ' THR . 1.4 t-80 -133.61 112.48 11.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.828 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.32 149.15 42.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.2 p -142.27 126.34 17.35 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.854 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -136.88 168.6 19.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.307 0.575 . . . . 0.0 112.331 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.2 167.18 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.864 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -154.36 -64.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.183 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -178.04 -20.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -145.99 176.55 9.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.76 0.314 . . . . 0.0 110.522 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.657 ' HG2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.62 -21.55 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.316 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -90.41 -37.75 13.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.205 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.69 78.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.442 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.637 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -53.49 -36.7 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.433 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 78' ' ' ILE . 47.5 mm -77.89 -27.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -56.69 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.49 -34.06 86.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.412 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 81' ' ' LEU . 23.5 tp -73.06 -48.75 33.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.083 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 74' ' ' ILE . 1.6 tp -65.25 -19.33 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.291 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.63 -47.67 16.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.024 0.44 . . . . 0.0 110.014 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -64.87 -32.68 74.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.639 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -66.37 -50.93 61.86 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.222 179.8 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.27 -58.73 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -32.3 50.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.45 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -75.65 -46.74 29.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.082 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 81' ' ' LEU . 3.4 mm? -57.0 -44.17 82.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -67.83 -39.47 83.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.776 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -54.56 -63.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.527 ' NE2' HD11 ' A' ' 61' ' ' ILE . 3.1 p80 -67.88 -17.17 64.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 27.4 tttp -80.36 -16.28 54.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.025 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -70.72 -55.39 8.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.0 110.487 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -24.8 18.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.023 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.5 mt -88.84 50.81 2.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.801 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.28 100.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.73 72.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mtm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.806 0.336 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.75 134.1 54.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.549 HD11 HG23 ' A' ' 21' ' ' THR . 1.4 pt? -123.09 149.07 44.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -142.26 159.44 42.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.977 0.417 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.523 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.1 pt -131.5 154.1 39.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.748 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.654 ' O ' HG13 ' A' ' 40' ' ' VAL . 1.5 m -134.88 118.89 17.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.229 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -102.03 123.35 7.85 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.784 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.5 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 8.5 p30 -100.71 110.31 22.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.609 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 65.56 39.29 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.688 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.544 HG21 ' CE ' ' A' ' 70' ' ' MET . 10.6 p -151.09 133.94 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.07 114.86 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.577 HD11 ' HA3' ' A' ' 7' ' ' GLY . 27.6 mm -76.07 94.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p -92.52 137.49 32.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.676 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.73 -32.55 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.959 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.89 -48.08 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.608 HD21 ' HG2' ' A' ' 70' ' ' MET . 0.2 OUTLIER -59.47 -62.5 1.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HB2' HD11 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -51.4 -40.55 59.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -61.61 -42.86 99.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CZ ' ' HE3' ' A' ' 23' ' ' LYS . 70.3 t80 -54.68 -46.43 74.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.66 -48.92 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.549 HG23 HD11 ' A' ' 3' ' ' LEU . 1.8 m -66.69 -30.13 70.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.684 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.65 89.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 46.7 mmtt -66.36 -51.51 56.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.531 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.849 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.9 m-85 -53.23 -45.06 68.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.62 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.97 -53.41 50.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -28.52 51.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.722 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD23 ' HE2' ' A' ' 31' ' ' PHE . 5.4 mp -81.94 -27.57 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.571 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.96 -13.92 40.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.658 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -68.91 -56.38 8.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.446 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.4 p90 -88.97 -21.49 23.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.423 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.591 ' HE2' HD23 ' A' ' 27' ' ' LEU . 19.3 m-30 -97.63 118.95 35.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 110.656 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -106.13 -26.28 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.028 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' CB ' HG13 ' A' ' 56' ' ' VAL . 20.7 mmt180 -75.4 64.38 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.409 HD11 ' CB ' ' A' ' 31' ' ' PHE . 25.3 mt -139.15 117.21 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -118.85 -58.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.06 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.49 117.07 21.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 111.035 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.849 HG11 ' CE1' ' A' ' 24' ' ' PHE . 5.9 t -121.89 134.1 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.0 135.53 47.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 110.78 179.425 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' A' ' 5' ' ' ILE . 16.1 t -128.32 146.74 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.252 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 6' ' ' THR . 20.4 t -146.62 130.31 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.77 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.836 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.54 132.99 44.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.807 -178.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.5 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 28.4 ttpt -103.08 137.62 41.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.201 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.491 HG13 ' CE1' ' A' ' 48' ' ' HIS . 21.7 t -115.84 117.16 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.257 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -136.74 152.51 50.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.484 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -53.34 -20.02 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.863 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -85.91 -84.57 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -129.56 154.22 47.27 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.951 0.405 . . . . 0.0 111.482 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.491 ' CE1' HG13 ' A' ' 43' ' ' VAL . 10.4 m170 -99.27 135.43 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.378 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.0 m -130.57 140.17 50.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.014 0.435 . . . . 0.0 111.494 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.475 ' O ' HD22 ' A' ' 77' ' ' LEU . 44.5 t -139.48 147.42 41.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.914 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.501 ' O ' HG13 ' A' ' 39' ' ' VAL . 34.4 p-10 -126.93 147.3 50.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.688 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.498 ' HB3' HD11 ' A' ' 81' ' ' LEU . . . -142.28 110.28 5.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.447 . . . . 0.0 111.633 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.43 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 36.4 m -108.57 111.42 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.806 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.713 HD13 ' CD2' ' A' ' 81' ' ' LEU . 7.1 mp -100.4 145.63 27.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.282 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -99.45 135.83 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.458 HG13 ' CB ' ' A' ' 33' ' ' ARG . 11.2 t -133.28 150.81 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -64.73 103.84 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.671 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.4 -19.63 39.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.88 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.2 168.92 34.72 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.765 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.91 130.88 26.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 0.0 110.704 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.47 140.05 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.251 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.24 112.19 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.575 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.81 153.63 46.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.345 . . . . 0.0 111.349 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 81.3 p -142.05 126.44 17.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -131.59 169.24 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.123 0.487 . . . . 0.0 112.161 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.96 163.17 33.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.225 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.35 -69.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.1 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -178.73 -21.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.484 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -146.47 176.49 9.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.827 0.346 . . . . 0.0 110.738 179.819 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.608 ' HG2' HD21 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -62.28 -21.84 65.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.338 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -90.96 -37.89 13.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.078 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.484 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -63.7 -48.61 76.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.265 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.51 -32.15 38.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.319 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.5 mm -79.35 -30.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -57.06 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.076 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.22 -37.88 91.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.552 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.89 ' O ' HD12 ' A' ' 81' ' ' LEU . 17.8 tp -67.8 -47.43 69.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.357 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.53 -15.02 18.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -52.95 9.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.003 0.43 . . . . 0.0 110.165 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -61.78 -38.45 88.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.849 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.89 HD12 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -60.8 -45.16 95.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.27 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.8 -62.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -51.79 -33.89 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.748 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -75.15 -44.22 48.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 111.068 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -59.61 -42.17 92.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.03 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -40.14 85.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -53.7 -64.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.296 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.442 ' CE1' ' HG3' ' A' ' 89' ' ' LYS . 3.5 p80 -62.44 -30.27 71.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.503 ' HA ' HD12 ' A' ' 92' ' ' LEU . 13.5 mttp -69.69 -17.72 63.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.343 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -75.27 -33.0 61.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.855 0.359 . . . . 0.0 110.619 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -61.99 -30.98 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.744 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -91.68 47.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.048 -179.82 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -140.03 30.03 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.97 30.79 2.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.82 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.7 mtm . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.766 0.317 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.13 -69.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.995 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.716 HD11 HG23 ' A' ' 21' ' ' THR . 1.8 pt? -119.94 141.22 49.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -137.41 149.55 47.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.2 mt -119.35 151.29 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.521 ' HB ' HG22 ' A' ' 40' ' ' VAL . 37.5 m -118.36 119.24 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.9 109.81 3.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.619 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -116.94 109.27 16.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.741 0.305 . . . . 0.0 110.473 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.4 t30 58.81 31.05 20.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.641 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.755 HG21 ' CE ' ' A' ' 70' ' ' MET . 9.2 p -151.6 135.75 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -83.64 115.67 22.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.2 mm -70.11 109.43 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 p -104.69 137.34 42.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -34.79 -43.8 0.19 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.239 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.29 -47.58 83.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.561 HD11 ' HG2' ' A' ' 70' ' ' MET . 0.1 OUTLIER -58.91 -64.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -52.98 -43.83 66.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -56.84 -46.03 81.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -57.4 -44.54 84.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.7 -58.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.716 HG23 HD11 ' A' ' 3' ' ' LEU . 21.2 m -59.17 -30.23 68.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.78 87.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.605 ' HB3' HG21 ' A' ' 78' ' ' ILE . 13.2 mmtt -69.86 -49.0 56.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.683 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -51.74 -49.76 61.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.04 -51.22 62.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -29.72 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.961 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.601 HD23 ' CE2' ' A' ' 31' ' ' PHE . 4.8 mp -77.12 -31.29 55.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 110.564 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HG2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -61.1 -14.38 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.413 179.665 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -72.05 -58.4 3.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.695 0.283 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.3 p90 -86.93 -22.99 25.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.462 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.601 ' CE2' HD23 ' A' ' 27' ' ' LEU . 20.9 m-30 -98.93 118.9 36.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.358 . . . . 0.0 110.659 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.21 4.21 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.485 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -106.92 65.75 0.67 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.935 0.398 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.404 HD12 ' HG2' ' A' ' 28' ' ' GLU . 24.5 mt -138.94 108.42 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -108.49 -56.67 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.992 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -129.6 124.69 34.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -132.7 136.9 55.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.851 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -133.19 143.98 49.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 51' ' ' ASP . 18.6 t -135.9 144.81 32.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.306 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.521 HG22 ' HB ' ' A' ' 6' ' ' THR . 18.3 t -139.11 132.39 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.791 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.855 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.31 126.53 35.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.912 -178.808 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 31.0 ttpt -105.78 145.63 30.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.278 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 t -123.42 107.58 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.253 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 47' ' ' THR . 5.9 pt-20 -125.08 152.61 44.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -17.79 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.958 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -85.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 5.6 m -129.04 150.52 50.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.895 0.378 . . . . 0.0 111.513 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -88.06 137.82 32.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.486 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.0 m -125.34 132.01 52.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 111.711 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.786 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 33.3 p -137.07 138.09 40.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.435 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.561 ' O ' HG13 ' A' ' 39' ' ' VAL . 54.2 p-10 -128.02 151.3 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.969 0.414 . . . . 0.0 111.321 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.943 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -138.81 140.27 38.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.937 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.9 109.17 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.498 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.624 HD11 ' HG ' ' A' ' 81' ' ' LEU . 2.0 mp -102.76 145.46 29.69 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.882 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.14 136.47 43.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.953 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 88' ' ' HIS . 28.5 m -139.9 159.65 26.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.77 103.77 3.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.52 -21.35 7.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.76 -173.45 42.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -140.32 133.02 28.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.802 0.334 . . . . 0.0 110.813 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.857 HD11 ' CD2' ' A' ' 88' ' ' HIS . 3.7 mt -101.99 137.28 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.945 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -133.67 111.96 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.535 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . . . -121.18 156.57 32.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.007 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.81 147.73 39.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.084 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -149.23 169.38 20.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.114 0.483 . . . . 0.0 111.664 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.75 161.08 38.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.288 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA3' ' HB3' ' A' ' 72' ' ' ALA . . . -159.81 170.66 36.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.806 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -65.15 -12.0 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -156.85 176.37 12.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.656 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.755 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -64.52 -16.02 61.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.366 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -88.93 -40.44 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -62.38 -46.58 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.786 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -53.17 -39.36 63.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.367 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mm -71.67 -31.8 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -65.22 -56.97 9.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.89 -30.18 75.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.402 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.871 ' O ' HD13 ' A' ' 81' ' ' LEU . 17.2 tp -72.26 -49.61 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.605 HG21 ' HB3' ' A' ' 23' ' ' LYS . 34.7 mm -67.37 -17.07 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.96 -53.07 9.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.041 0.448 . . . . 0.0 109.849 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -59.55 -38.04 80.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.635 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.943 HD21 ' HB1' ' A' ' 52' ' ' ALA . 10.8 mp -58.39 -52.44 65.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.9 -60.15 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -34.52 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -74.4 -46.5 39.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 81' ' ' LEU . 3.1 mm? -57.61 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.8 m -61.88 -44.83 96.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -64.46 0.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.496 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.857 ' CD2' HD11 ' A' ' 61' ' ' ILE . 1.8 p80 -65.58 -28.06 68.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -21.3 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.12 -31.54 64.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -49.45 -27.77 4.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.208 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.555 HD12 ' H ' ' A' ' 92' ' ' LEU . 2.8 mp -91.3 56.23 3.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.93 -170.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -128.03 32.18 4.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.905 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.722 0.296 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.42 96.11 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.587 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.2 pt? -69.27 156.82 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -131.21 150.83 51.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.277 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.3 mt -109.78 144.44 17.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.971 0.415 . . . . 0.0 111.657 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -140.97 118.74 11.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.808 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.56 151.3 17.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.445 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -125.19 109.1 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 68.68 36.35 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.821 HG21 ' CE ' ' A' ' 70' ' ' MET . 13.1 p -152.88 139.6 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.017 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.85 122.31 33.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 111.21 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.4 mm -74.34 117.55 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -110.25 137.12 48.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -34.73 -44.53 0.22 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.193 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.74 -47.58 71.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.543 HD11 ' HG2' ' A' ' 70' ' ' MET . 1.3 tp -55.92 -67.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.731 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -39.26 9.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.597 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.72 -46.36 84.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.606 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -56.52 -46.69 80.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 t -60.09 -52.62 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.72 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 m -61.46 -30.96 70.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.606 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.8 82.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.813 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.5 mmtt -60.18 -59.83 4.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.655 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.677 ' CE1' HG11 ' A' ' 37' ' ' VAL . 11.4 m-85 -52.74 -42.84 65.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.41 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.64 -54.62 25.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.588 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -29.65 49.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.525 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 4.4 mp -79.02 -26.33 43.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.469 ' HG2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -67.3 -14.77 63.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.105 179.629 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -73.03 -61.02 1.96 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 1.8 p90 -80.93 -26.86 36.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.503 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 85' ' ' LEU . 3.5 m-85 -117.27 119.91 36.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 111.258 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.96 1.45 22.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.412 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -82.1 59.49 4.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.484 HG23 ' CG2' ' A' ' 37' ' ' VAL . 17.3 mt -133.97 112.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.06 -59.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -125.56 116.97 22.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.803 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.677 HG11 ' CE1' ' A' ' 24' ' ' PHE . 21.4 t -128.68 134.56 64.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -130.63 141.36 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.555 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 51' ' ' ASP . 15.4 t -135.82 144.23 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.536 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.495 ' C ' HD13 ' A' ' 41' ' ' LEU . 17.5 t -137.57 133.92 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.803 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.848 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.27 123.66 28.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.454 -0.793 . . . . 0.0 111.786 -178.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -100.73 142.4 32.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.335 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.15 105.74 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.399 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 47' ' ' THR . 6.9 pt-20 -123.96 152.37 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.542 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -52.66 -21.44 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.821 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.427 HG12 ' OG1' ' A' ' 47' ' ' THR . 48.8 t -84.67 -84.82 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.427 ' OG1' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -129.26 151.69 49.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.913 0.387 . . . . 0.0 111.309 -179.67 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 6.3 m170 -93.87 131.25 39.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.297 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.9 m -120.61 140.66 51.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.986 0.422 . . . . 0.0 111.774 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.483 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 19.8 p -138.66 143.15 39.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.509 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.613 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.5 p30 -128.69 147.03 50.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.932 0.396 . . . . 0.0 111.32 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.892 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -134.47 141.05 46.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.086 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.76 105.26 4.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.662 HD12 HD12 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -98.55 143.24 29.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.54 117.08 29.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 60' ' ' GLU . 1.9 t -90.3 168.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.519 ' H ' HG12 ' A' ' 56' ' ' VAL . 4.5 m120 -47.65 -56.27 7.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.4 -48.53 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.571 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.29 -171.04 34.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.721 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.521 ' HA ' HG23 ' A' ' 56' ' ' VAL . 67.7 mt-10 -141.3 138.01 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.688 0.28 . . . . 0.0 110.844 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.741 HD13 HD22 ' A' ' 85' ' ' LEU . 3.2 mt -101.15 134.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -134.32 112.19 10.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.64 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.718 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -136.76 165.65 25.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 111.084 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 2.0 p -140.68 153.56 46.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -142.23 156.88 45.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.944 0.402 . . . . 0.0 111.411 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -130.95 157.49 42.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.52 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.52 172.68 37.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.768 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.76 -12.62 25.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.442 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 6.0 p-10 -157.98 176.15 12.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.623 0.249 . . . . 0.0 110.558 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.821 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -59.61 -52.53 65.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.823 0.344 . . . . 0.0 110.819 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -55.93 -41.94 75.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.58 73.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 50' ' ' SER . . . -49.81 -31.06 10.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.23 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 mm -74.81 -37.97 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.687 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.61 -56.79 16.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.24 -28.72 73.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.206 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.892 HD11 ' HB3' ' A' ' 52' ' ' ALA . 12.2 tp -67.19 -42.65 83.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.05 0.452 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.8 mm -79.7 -16.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.962 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.61 -60.47 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.528 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -64.2 -33.97 77.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.672 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.883 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -60.23 -49.61 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.97 71.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.746 0.307 . . . . 0.0 110.685 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -42.42 48.46 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.068 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -70.69 -38.24 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.035 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.5 mm? -58.39 -42.89 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.693 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -41.57 96.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.233 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -57.15 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.237 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.611 ' NE2' HD11 ' A' ' 61' ' ' ILE . 3.0 p80 -74.35 -25.29 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.538 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' CE ' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -69.71 -19.42 63.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.484 -179.516 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.49 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 110.437 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -53.93 -26.69 26.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.028 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mp -125.43 31.28 5.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.07 143.99 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.51 64.24 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.894 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.45 ' O ' ' HB2' ' A' ' 2' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.696 0.284 . . . . 0.0 111.164 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 1' ' ' MET . 2.0 tp-100 175.61 32.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.076 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.44 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -96.4 133.05 41.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.841 0.353 . . . . 0.0 110.76 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -134.45 141.0 46.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.025 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mt -117.23 151.11 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.776 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.668 ' HB ' HG13 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -119.18 118.97 32.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.318 179.589 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.54 110.89 4.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.923 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -111.68 109.05 18.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.207 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 t30 64.39 32.66 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.41 . . . . 0.0 110.432 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.732 HG11 ' HE1' ' A' ' 70' ' ' MET . 21.8 t -151.56 136.03 9.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.005 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -84.22 118.09 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -65.98 103.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -100.21 132.8 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -36.45 -39.46 0.2 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.2 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 18' ' ' GLU . . . -67.55 -47.25 70.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 111.211 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.648 HD21 ' HG2' ' A' ' 70' ' ' MET . 0.3 OUTLIER -64.0 -50.71 67.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.303 -179.7 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -46.17 82.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.62 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -62.48 -37.97 88.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.624 0.249 . . . . 0.0 110.691 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 80.1 t80 -57.58 -46.72 83.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.823 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 16' ' ' LEU . 20.0 t -59.59 -48.85 85.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.724 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 m -64.39 -30.19 71.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.611 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -55.57 -45.29 77.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HB3' HG21 ' A' ' 78' ' ' ILE . 5.7 mttt -69.31 -47.57 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.64 ' HE1' HG11 ' A' ' 37' ' ' VAL . 2.3 m-85 -53.11 -48.61 67.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.87 -51.5 60.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.732 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -29.85 29.47 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.466 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -77.49 -32.06 53.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.976 0.417 . . . . 0.0 110.463 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -14.92 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.834 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.6 -55.23 9.3 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.671 0.272 . . . . 0.0 110.885 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.466 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -99.76 2.34 44.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.834 -179.796 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 86' ' ' THR . 20.8 m-85 -124.79 118.12 25.67 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.896 0.379 . . . . 0.0 110.72 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -108.7 -28.8 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -68.51 70.11 0.17 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.12 116.12 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 2' ' ' GLN . 0.6 OUTLIER -111.09 -61.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -128.6 125.29 37.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.77 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.64 HG11 ' HE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -125.27 136.11 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.472 -179.697 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.82 132.44 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.543 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 51' ' ' ASP . 19.9 t -126.57 146.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.281 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.668 HG13 ' HB ' ' A' ' 6' ' ' THR . 20.2 t -144.13 132.64 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.548 . . . . 0.0 111.418 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.853 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.48 126.12 34.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.362 -179.342 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -108.29 147.42 31.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.623 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.647 HG23 HG21 ' A' ' 10' ' ' VAL . 50.1 t -125.72 108.65 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 47' ' ' THR . 6.4 pt-20 -124.83 153.07 43.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.616 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -17.25 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.933 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -85.59 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.413 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -129.13 150.93 50.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.852 0.358 . . . . 0.0 111.518 -179.579 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -87.83 141.39 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.493 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -129.92 129.95 44.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.866 0.365 . . . . 0.0 111.703 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.626 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 96.9 p -135.26 137.59 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.296 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.495 ' O ' HG13 ' A' ' 39' ' ' VAL . 2.9 p30 -129.16 151.77 49.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.056 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.644 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -146.22 110.12 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.017 0.437 . . . . 0.0 111.211 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.418 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.5 m -106.67 112.31 25.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.044 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.668 HD13 ' CD2' ' A' ' 81' ' ' LEU . 7.7 mp -100.7 145.67 28.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -95.99 129.37 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' ' 57' ' ' ASN . 2.2 t -110.41 168.66 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.541 ' H ' HG12 ' A' ' 56' ' ' VAL . 19.4 m120 -45.41 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.385 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.13 27.98 9.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.391 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.33 171.37 37.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.419 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -140.26 128.92 23.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.518 HD11 ' CD2' ' A' ' 88' ' ' HIS . 10.8 mt -103.83 139.8 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -133.01 112.48 11.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.772 ' HB1' ' HD2' ' A' ' 80' ' ' LYS . . . -117.59 151.18 37.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.928 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.42 119.24 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.224 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.869 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -124.53 170.79 10.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.967 0.413 . . . . 0.0 111.721 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.31 161.36 37.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.474 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.58 169.89 35.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.718 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -64.38 -13.54 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.371 0.137 . . . . 0.0 111.371 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -153.46 176.15 12.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.732 ' HE1' HG11 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -65.57 -16.85 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.444 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -90.48 -37.88 13.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.89 80.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.626 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -54.01 -36.5 63.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.285 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.3 mm -75.58 -27.81 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -55.94 11.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.51 -27.47 72.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.341 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.906 ' O ' HD12 ' A' ' 81' ' ' LEU . 3.8 tt -74.71 -52.14 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.531 ' N ' HD23 ' A' ' 77' ' ' LEU . 22.7 mm -70.19 -15.2 18.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.895 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -53.0 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.436 . . . . 0.0 110.228 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.772 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 2.3 ptpt -62.48 -35.09 78.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.771 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.906 HD12 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -63.93 -48.9 74.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.215 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.08 -60.66 3.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.233 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -52.69 -33.68 48.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.777 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -46.1 35.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.358 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.3 mm? -58.97 -43.49 91.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.692 HG23 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -64.83 -40.34 95.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.006 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -62.05 1.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.564 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.518 ' CD2' HD11 ' A' ' 61' ' ' ILE . 3.1 p80 -67.19 -38.29 85.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.551 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 3.3 tmtm? -62.25 -19.22 62.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.631 0.253 . . . . 0.0 111.303 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.68 -36.82 73.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.393 . . . . 0.0 110.771 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -43.6 84.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.7 mp -100.6 79.69 2.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -81.68 -49.93 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -117.87 98.97 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.88 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.0 mtt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.75 0.31 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.72 -161.57 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.57 140.52 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 110.765 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -141.72 159.62 41.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.474 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -128.52 154.04 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.762 179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.806 ' O ' HG13 ' A' ' 40' ' ' VAL . 20.5 m -141.65 118.9 11.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.124 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -100.99 131.71 10.67 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.818 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 8' ' ' ASN . 2.4 p30 -108.7 116.18 31.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 110.568 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.7 OUTLIER 68.89 33.42 3.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.773 -179.678 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.916 HG21 ' CE ' ' A' ' 70' ' ' MET . 13.1 p -152.06 135.94 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.9 120.48 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.404 HD11 ' HA3' ' A' ' 7' ' ' GLY . 21.9 mm -82.75 94.17 3.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.016 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.0 p -98.38 147.1 25.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.77 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -39.09 -33.4 0.13 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.876 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -47.08 73.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.061 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.924 HD11 ' HG2' ' A' ' 70' ' ' MET . 2.2 tp -56.98 -66.76 0.4 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 -47.19 -40.03 15.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.806 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.24 -52.06 65.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.547 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 45.2 t80 -49.28 -49.65 42.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.134 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 t -60.53 -51.21 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.421 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -62.11 -23.65 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.605 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -53.99 -45.97 71.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.791 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' HD13 ' A' ' 27' ' ' LEU . 32.4 mmtt -76.29 -46.46 27.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.894 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.693 ' CE2' HG11 ' A' ' 37' ' ' VAL . 4.5 m-85 -56.95 -13.34 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.211 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 -49.52 9.41 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.012 0.434 . . . . 0.0 109.92 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -15.63 62.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.117 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.582 HD23 ' HE2' ' A' ' 31' ' ' PHE . 6.0 mp -87.85 -42.83 12.27 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.779 0.323 . . . . 0.0 110.667 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.08 -15.48 9.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.312 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.55 -53.4 16.23 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.746 0.307 . . . . 0.0 110.844 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.493 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 3.1 p90 -95.83 2.29 53.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.574 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.701 ' HB3' HD11 ' A' ' 34' ' ' ILE . 10.9 m-30 -115.04 118.87 34.61 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.758 0.313 . . . . 0.0 110.461 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.27 -29.86 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.001 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.1 mtt-85 -77.38 64.04 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.701 HD11 ' HB3' ' A' ' 31' ' ' PHE . 30.3 mt -136.51 124.06 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -124.96 -61.75 1.28 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.169 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -129.56 116.89 19.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.216 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.693 HG11 ' CE2' ' A' ' 24' ' ' PHE . 3.6 t -122.7 135.47 62.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.755 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -130.11 127.56 40.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.025 0.441 . . . . 0.0 111.165 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.3 t -122.46 146.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.002 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 6' ' ' THR . 24.6 t -144.52 134.63 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.219 0.533 . . . . 0.0 110.755 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.841 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.16 131.69 44.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.604 -179.01 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -106.7 136.45 46.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.578 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.51 HG13 ' NE2' ' A' ' 48' ' ' HIS . 21.9 t -117.47 117.5 55.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.052 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -136.31 152.69 50.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -51.9 -20.6 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.01 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.59 -84.93 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 m -129.18 154.53 46.67 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.016 0.436 . . . . 0.0 111.469 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.565 ' CD2' ' HA ' ' A' ' 69' ' ' ASP . 3.2 m80 -98.89 136.46 38.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.452 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.8 m -129.56 139.24 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 111.467 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.7 p -133.25 147.38 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.759 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.714 ' O ' HG13 ' A' ' 39' ' ' VAL . 1.6 p30 -129.89 148.27 51.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.603 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.692 ' HB2' HD11 ' A' ' 77' ' ' LEU . . . -141.04 114.01 8.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.937 0.399 . . . . 0.0 111.628 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.434 HG23 ' CG ' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -109.23 107.61 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.692 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 81' ' ' LEU . 8.5 mp -100.71 146.36 27.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 111.439 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -106.69 134.72 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.901 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 m -141.46 117.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.24 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.5 m120 40.61 -95.02 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.773 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.78 31.85 4.63 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.571 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.29 155.69 23.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.19 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -134.98 117.72 16.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 111.193 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -102.37 138.38 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.429 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.434 ' CG ' HG23 ' A' ' 53' ' ' THR . 5.2 t-160 -133.59 112.21 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.331 . . . . 0.0 111.04 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.881 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -124.69 155.28 39.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.863 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -140.83 123.9 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.652 ' HB2' ' HE2' ' A' ' 80' ' ' LYS . . . -121.37 153.05 38.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.113 0.482 . . . . 0.0 111.987 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -130.86 157.43 42.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.033 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.96 -67.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.067 -1.063 . . . . 0.0 113.169 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -177.47 -24.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.639 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 4.0 p30 -147.77 176.6 9.99 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.924 ' HG2' HD11 ' A' ' 16' ' ' LEU . 7.4 tpp -53.6 -56.32 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.788 0.328 . . . . 0.0 111.21 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -59.21 -38.12 79.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.243 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.639 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -60.65 -53.04 62.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.388 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.62 -31.68 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.4 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.9 mm -78.72 -23.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.231 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -52.22 12.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.873 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.82 -37.01 88.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.239 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -68.01 -41.91 81.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.054 0.454 . . . . 0.0 110.625 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.584 ' N ' HD23 ' A' ' 77' ' ' LEU . 23.2 mm -76.47 -15.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.078 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.12 -53.38 7.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.652 ' HE2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -73.74 -25.46 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.953 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.881 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -70.45 -50.6 36.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.837 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.11 61.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -54.38 -34.53 61.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.438 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -76.54 -46.25 27.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.028 0.442 . . . . 0.0 110.729 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -56.52 -44.32 80.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.912 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -37.06 82.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -62.2 1.77 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.682 ' O ' HD12 ' A' ' 92' ' ' LEU . 5.2 p80 -62.84 -29.35 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 1.1 tttt -68.89 -16.86 63.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.248 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.75 -28.66 30.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.769 0.319 . . . . 0.0 110.828 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -66.66 -48.79 68.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 88' ' ' HIS . 1.3 mp -75.6 63.19 1.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm -122.23 139.22 54.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.802 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.94 105.02 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 m80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.889 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.857 0.361 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 61.38 157.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.05 148.27 45.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -141.16 158.01 44.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.584 HG22 ' HB ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -132.89 154.15 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.478 ' O ' HG13 ' A' ' 40' ' ' VAL . 20.3 m -140.56 118.95 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.987 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.64 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -99.02 133.66 11.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.061 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' HB2' ' A' ' 42' ' ' LYS . 11.6 p30 -107.51 116.84 32.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.693 0.282 . . . . 0.0 110.378 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.1 t30 62.02 37.62 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.575 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.551 HG11 HD23 ' A' ' 41' ' ' LEU . 9.4 p -151.37 133.33 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.965 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.72 118.42 15.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.809 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.64 HD11 ' HA3' ' A' ' 7' ' ' GLY . 26.1 mm -82.95 94.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -96.04 143.91 26.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -38.23 -33.93 0.11 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.042 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.24 -46.87 72.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.203 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -57.29 -66.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -48.89 -40.07 28.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.02 -51.65 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -49.67 -48.55 49.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.8 -53.41 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.7 m -60.06 -30.64 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.83 88.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' O ' HD13 ' A' ' 27' ' ' LEU . 15.5 mmtt -65.39 -55.8 16.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.612 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.862 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 6.1 m-85 -48.1 -46.19 33.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.21 -55.63 17.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -26.52 53.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 10.8 mp -82.89 -26.04 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 110.829 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -13.17 35.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -72.6 -50.42 25.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.628 0.252 . . . . 0.0 111.331 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -98.59 -25.53 14.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.757 -179.509 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CD2' HD22 ' A' ' 85' ' ' LEU . 20.5 m-30 -95.56 117.8 31.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.43 -7.29 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.48 47.97 1.49 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.81 0.338 . . . . 0.0 111.268 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' A' ' 31' ' ' PHE . 6.1 mt -133.85 107.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.737 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.65 -54.24 2.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.97 116.51 21.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.862 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 2.7 t -126.69 134.35 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -128.88 127.3 41.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.581 179.423 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.4 t -122.05 145.88 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.422 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 6' ' ' THR . 24.0 t -140.47 134.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.621 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.869 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.36 128.53 39.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.799 -178.776 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.453 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 4.3 ttpt -101.38 128.6 47.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.174 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.414 HG21 ' CG2' ' A' ' 10' ' ' VAL . 38.5 t -113.05 110.44 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.512 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 47' ' ' THR . 10.2 pt-20 -133.33 152.41 51.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.459 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -53.51 -20.57 5.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.893 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.16 -84.98 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 31.1 m -129.06 153.76 47.32 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.816 0.341 . . . . 0.0 111.314 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 5.3 m-70 -102.33 133.87 46.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.733 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -124.32 141.75 51.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.147 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.811 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 34.0 p -138.43 147.06 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.666 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.4 p30 -135.74 146.91 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.72 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.722 ' CB ' HD21 ' A' ' 77' ' ' LEU . . . -145.14 110.6 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 111.752 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.416 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.3 m -104.2 114.08 28.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.714 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.806 ' CD2' HD11 ' A' ' 85' ' ' LEU . 9.2 mp -99.49 145.65 27.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.0 0.429 . . . . 0.0 111.217 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -91.33 125.15 36.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.96 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 60' ' ' GLU . 2.1 t -103.55 168.78 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.539 ' H ' HG12 ' A' ' 56' ' ' VAL . 20.0 m-20 -46.33 -62.27 1.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.482 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.59 -53.4 1.06 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.801 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.59 -167.28 31.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.719 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.551 ' HA ' HG23 ' A' ' 56' ' ' VAL . 63.0 mt-10 -140.68 135.21 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.7 0.286 . . . . 0.0 110.668 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.3 mt -101.52 140.45 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.038 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.402 ' CB ' HG23 ' A' ' 53' ' ' THR . 7.8 t-160 -132.98 112.31 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.715 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -125.26 154.18 42.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -140.68 149.63 42.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.61 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.834 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -145.46 163.68 33.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 111.235 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -135.93 158.84 43.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.779 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.26 169.54 34.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.67 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -53.22 -18.26 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.419 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 3.9 p-10 -153.25 173.81 15.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.723 0.297 . . . . 0.0 110.651 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -58.0 -53.99 52.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.813 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.725 ' CE1' HD22 ' A' ' 16' ' ' LEU . 41.0 m-85 -56.43 -40.06 74.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.01 71.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.811 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -51.11 -31.81 20.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.205 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 78' ' ' ILE . 43.6 mm -75.45 -33.41 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.465 ' O ' HG22 ' A' ' 78' ' ' ILE . 7.7 t0 -64.88 -57.08 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.24 93.67 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.834 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 8.6 tt -69.59 -41.62 75.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.821 0.343 . . . . 0.0 111.326 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -71.95 -20.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.553 -179.66 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -79.72 -50.42 10.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -68.52 -33.45 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.788 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.773 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -65.17 -47.9 75.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.406 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -57.22 -55.8 30.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.878 0.37 . . . . 0.0 110.763 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -52.62 -31.99 39.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -40.16 69.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.017 0.437 . . . . 0.0 110.605 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.806 HD11 ' CD2' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -59.64 -40.22 86.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.741 179.677 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -66.94 -39.37 87.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.688 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.273 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.449 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 8.3 p-80 -64.28 -26.4 68.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.239 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -14.82 60.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.558 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -81.8 -32.16 31.45 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' A' ' 88' ' ' HIS . 3.4 mttp -53.26 -51.99 60.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.58 -30.98 67.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.72 165.98 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -159.57 32.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.943 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -106.84 89.14 2.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.674 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.6 pt? -122.82 148.02 45.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -141.15 159.12 42.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.6 mt -124.26 153.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.835 ' O ' HG13 ' A' ' 40' ' ' VAL . 51.2 m -139.3 121.48 15.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.238 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.31 124.41 7.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.09 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.1 p30 -94.02 115.28 27.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 1.1 t30 86.53 -43.96 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.252 -178.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.592 HG22 ' N ' ' A' ' 11' ' ' GLU . 15.0 p -95.54 169.44 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.687 -179.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.592 ' N ' HG22 ' A' ' 10' ' ' VAL . 1.3 pm0 -110.5 147.67 33.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.846 0.355 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.8 mm -76.39 101.6 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.717 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 p -93.54 140.0 30.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -36.29 -37.82 0.13 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.171 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -68.98 -47.29 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.3 tp -62.29 -46.65 87.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.254 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -70.03 -44.36 69.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.485 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 10.5 pt-20 -63.79 -47.67 79.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.734 0.302 . . . . 0.0 110.849 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -54.39 -47.74 72.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 16' ' ' LEU . 39.6 t -60.81 -48.03 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 m -65.44 -34.23 77.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.409 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.27 -43.82 79.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.784 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HB3' HG12 ' A' ' 78' ' ' ILE . 13.5 mmtt -65.05 -52.14 57.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.303 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.711 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 5.7 m-85 -49.76 -42.45 46.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.696 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.52 -50.52 62.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.954 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -28.78 67.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.692 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.572 HD21 ' HB2' ' A' ' 82' ' ' ALA . 9.3 mp -82.68 -22.02 34.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.937 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -66.78 -12.43 58.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.677 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -68.07 -45.94 72.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.67 0.272 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.508 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -107.75 2.29 23.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.84 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.487 ' HB3' HD11 ' A' ' 34' ' ' ILE . 18.2 m-30 -111.88 118.57 35.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.51 -31.03 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -77.78 76.66 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.487 HD11 ' HB3' ' A' ' 31' ' ' PHE . 28.9 mt -144.14 114.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.49 -62.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.125 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.09 116.9 21.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 111.127 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.711 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 13.9 t -125.53 134.28 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.459 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.65 142.92 49.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 0.0 110.837 179.683 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 51' ' ' ASP . 8.2 t -134.19 146.52 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.15 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 6' ' ' THR . 22.3 t -141.58 135.56 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.142 0.496 . . . . 0.0 111.062 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.85 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.35 128.08 38.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.741 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -101.93 136.57 41.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.416 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.423 HG21 ' HE1' ' A' ' 70' ' ' MET . 21.5 t -117.98 109.99 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.175 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -130.16 152.75 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -20.38 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.892 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.7 t -86.48 -85.93 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.9 m -129.11 154.21 46.92 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.998 0.428 . . . . 0.0 111.379 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -97.0 134.18 40.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.533 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 m -123.96 141.48 52.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.917 0.389 . . . . 0.0 111.287 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.586 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 27.1 p -138.31 147.28 43.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.948 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.689 ' O ' HG13 ' A' ' 39' ' ' VAL . 11.8 p30 -131.67 148.95 52.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.782 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.779 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -142.17 110.33 5.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.914 0.387 . . . . 0.0 111.501 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.408 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.2 m -108.74 109.31 20.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.56 HD13 HD12 ' A' ' 81' ' ' LEU . 9.1 mp -98.37 145.95 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.194 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -99.18 126.7 45.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.85 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 57' ' ' ASN . 2.5 t -103.94 166.41 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.492 ' H ' HG12 ' A' ' 56' ' ' VAL . 5.9 m-20 -47.0 -67.07 0.31 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.231 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.99 27.1 8.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.417 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -162.22 172.9 38.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -138.46 124.91 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mt -102.49 139.48 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.649 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -133.24 112.18 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.25 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.741 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -121.13 153.12 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.604 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.2 p -140.9 120.88 13.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.759 0.314 . . . . 0.0 110.749 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -117.53 163.71 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.156 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.23 157.9 45.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.15 164.47 31.9 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.673 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -59.51 -17.2 29.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.579 0.228 . . . . 0.0 111.504 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 3.9 p-10 -151.46 176.43 11.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 110.691 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.423 ' HE1' HG21 ' A' ' 43' ' ' VAL . 2.2 tpp -57.81 -56.5 21.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -56.16 -36.81 68.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.984 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.444 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -62.39 -49.2 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 110.987 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 50' ' ' SER . . . -52.66 -32.86 44.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.264 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 78' ' ' ILE . 47.4 mm -78.0 -28.79 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -55.65 14.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.83 -33.17 74.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.889 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 48.2 tp -73.56 -34.61 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 111.189 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 74' ' ' ILE . 2.6 tp -82.44 -16.61 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.5 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.05 -49.41 8.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.903 0.383 . . . . 0.0 110.34 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -69.54 -33.45 72.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.472 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.741 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -67.37 -50.58 59.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.013 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.48 -52.32 65.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 110.918 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -55.41 -33.61 63.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.309 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -76.29 -48.77 18.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 81' ' ' LEU . 3.4 mm? -57.12 -40.19 76.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.746 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -69.47 -38.52 77.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.0 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -53.12 -63.52 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.992 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 3.0 p80 -64.56 -26.74 68.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -18.44 63.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.366 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.53 -27.37 37.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.912 0.387 . . . . 0.0 111.035 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -56.64 -40.47 75.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mp -97.45 37.65 1.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -148.8 31.45 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -76.71 -29.63 56.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.916 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mmt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.794 0.33 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 3.1 mp0 -107.35 -88.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.712 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.6 pt? -123.93 142.97 50.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -133.08 146.0 51.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.3 mt -106.16 142.47 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.988 0.423 . . . . 0.0 111.395 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.593 ' O ' HG13 ' A' ' 40' ' ' VAL . 2.2 m -149.04 118.23 6.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.69 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.62 168.47 12.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.231 -0.985 . . . . 0.0 113.566 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.95 109.14 12.62 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 69.27 42.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.949 0.404 . . . . 0.0 110.202 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.534 HG21 ' CD2' ' A' ' 41' ' ' LEU . 2.8 m -150.46 133.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.456 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.13 118.42 24.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.486 HD13 HD23 ' A' ' 16' ' ' LEU . 18.6 mm -82.36 103.37 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -104.29 155.32 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -33.52 -52.91 0.41 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.259 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.82 84.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.323 . . . . 0.0 111.066 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 20' ' ' VAL . 4.6 tp -56.08 -51.68 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.724 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 1.2 ptt85 -66.92 -41.49 86.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.754 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 6.2 mt-10 -64.33 -56.7 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.731 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.84 -49.85 57.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.708 -0.223 . . . . 0.0 111.535 -179.084 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 16' ' ' LEU . 18.1 t -58.49 -45.62 90.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 0.0 110.646 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.4 HG23 HD11 ' A' ' 3' ' ' LEU . 12.3 m -68.75 -29.66 68.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.787 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.16 87.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB3' HG21 ' A' ' 78' ' ' ILE . 8.4 mttt -67.11 -51.63 51.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.479 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.613 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.3 m-85 -52.94 -45.64 67.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.48 -51.74 61.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -29.68 58.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 23' ' ' LYS . 9.1 mp -80.77 -26.37 37.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -13.75 52.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.672 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -67.93 -58.5 4.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.805 0.336 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.486 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -89.65 2.37 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.468 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 19.2 m-30 -116.71 119.18 34.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.339 . . . . 0.0 110.734 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -107.9 -23.24 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.698 ' CZ ' HD13 ' A' ' 92' ' ' LEU . 18.4 mtt-85 -84.14 76.3 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.07 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.9 mt -144.02 117.12 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -121.23 -58.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.317 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 2' ' ' GLN . 6.4 tp60 -127.0 116.88 21.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 111.164 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.613 HG11 ' CE1' ' A' ' 24' ' ' PHE . 2.3 t -123.23 134.36 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.47 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.32 139.65 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -135.58 144.59 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.131 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 6' ' ' THR . 17.6 t -142.52 136.13 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 111.081 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.868 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.51 129.19 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.845 -179.099 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -106.74 143.08 35.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.468 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -122.3 110.8 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 47' ' ' THR . 5.5 pt-20 -128.66 152.51 48.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.574 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.81 -20.69 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.114 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.413 HG12 ' OG1' ' A' ' 47' ' ' THR . 45.7 t -87.33 -84.39 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.413 ' OG1' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -129.9 152.95 48.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.864 0.364 . . . . 0.0 111.588 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.433 ' CD2' ' HA ' ' A' ' 69' ' ' ASP . 1.2 m80 -93.36 137.14 32.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.285 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -125.34 133.63 52.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.983 0.42 . . . . 0.0 111.661 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.7 p -133.87 140.7 47.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.209 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 38.2 p-10 -127.06 141.59 51.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 111.336 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.679 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -128.57 137.88 51.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.926 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.402 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 2.0 m -140.33 107.54 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.454 ' HG ' HG13 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -101.41 145.48 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -101.09 134.65 43.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.433 HG21 HD11 ' A' ' 61' ' ' ILE . 29.3 t -130.65 153.16 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.983 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -64.46 102.59 0.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.965 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.98 -16.76 58.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.971 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.46 163.38 29.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.723 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.56 132.42 27.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 110.777 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.433 HD11 HG21 ' A' ' 56' ' ' VAL . 2.4 mp -101.67 136.24 34.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.04 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -134.61 112.12 10.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.807 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -127.73 162.83 25.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 111.126 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -140.82 117.17 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.339 179.687 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -112.86 156.97 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 111.345 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -130.25 156.71 44.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.621 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.84 167.63 33.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.554 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -65.56 -13.23 58.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.572 0.225 . . . . 0.0 111.497 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.433 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 3.5 p-10 -154.95 176.16 12.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.737 0.303 . . . . 0.0 110.796 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.2 ttp -59.65 -58.02 10.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -55.36 -41.95 73.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.39 -50.65 72.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.029 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.25 -34.21 31.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.461 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 34.5 mm -76.48 -30.13 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -56.62 18.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.252 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.33 -24.15 77.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.298 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 52' ' ' ALA . 12.6 tp -72.37 -45.19 60.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.407 . . . . 0.0 110.59 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.613 HG21 ' HB3' ' A' ' 23' ' ' LYS . 48.5 mm -79.59 -15.83 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.049 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.18 -57.62 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.453 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -64.59 -33.15 75.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.24 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.807 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -64.49 -46.35 83.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.838 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.99 -58.09 9.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.98 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -51.95 -32.88 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.191 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -75.96 -45.46 34.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.987 0.423 . . . . 0.0 110.834 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -59.91 -42.26 93.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.724 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -67.04 -40.17 87.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -64.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.021 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -61.73 -37.44 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.616 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -63.93 -17.41 63.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -87.73 -31.1 19.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.81 0.338 . . . . 0.0 110.648 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -53.92 -34.14 58.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.698 HD13 ' CZ ' ' A' ' 33' ' ' ARG . 3.2 mt -82.36 59.37 4.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.763 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -131.89 159.2 39.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.71 112.32 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.1 p80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.947 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 tpp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.835 0.35 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -117.02 -95.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.532 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.8 pt? -123.2 142.55 50.79 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.926 0.393 . . . . 0.0 111.196 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -132.7 142.11 48.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.448 HG22 ' HB ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -124.9 153.25 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 111.352 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.635 ' O ' HG13 ' A' ' 40' ' ' VAL . 9.4 m -142.22 118.81 11.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.108 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.792 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -100.3 121.18 7.14 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.938 -179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.518 ' OD1' ' HB2' ' A' ' 42' ' ' LYS . 6.5 p30 -98.15 114.33 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.696 0.284 . . . . 0.0 110.47 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 65.5 36.44 6.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 0.0 110.591 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.9 p -151.4 134.32 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.867 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.75 114.84 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.792 HD11 ' HA3' ' A' ' 7' ' ' GLY . 26.5 mm -76.27 94.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.006 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.8 p -96.93 145.17 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.746 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -35.17 -45.02 0.28 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.211 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -59.39 -46.81 87.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.934 0.397 . . . . 0.0 111.25 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -61.82 -50.88 70.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.414 -179.43 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.5 ptm180 -65.69 -45.76 81.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.735 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 18.9 pt-20 -60.8 -45.41 94.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.832 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -54.07 -47.46 71.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 16' ' ' LEU . 7.2 t -61.59 -52.67 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.853 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.403 HG23 HD11 ' A' ' 3' ' ' LEU . 63.6 m -63.67 -29.1 70.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.62 84.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.737 ' HB3' HG21 ' A' ' 78' ' ' ILE . 8.7 mmtt -70.08 -44.75 68.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.404 ' HE2' HG11 ' A' ' 37' ' ' VAL . 1.5 m-85 -51.47 -48.15 62.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.03 -51.2 62.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -29.45 46.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.693 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.646 HD23 ' HE2' ' A' ' 31' ' ' PHE . 4.5 mp -80.83 -32.46 35.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.47 -14.94 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.545 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.44 -57.92 4.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.682 0.277 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.2 p90 -87.59 -23.95 24.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.511 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.646 ' HE2' HD23 ' A' ' 27' ' ' LEU . 20.2 m-30 -94.97 118.92 32.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.823 0.344 . . . . 0.0 110.582 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.6 -29.67 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -75.58 71.07 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.417 HD11 ' CB ' ' A' ' 31' ' ' PHE . 28.2 mt -139.76 124.36 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.8 -62.49 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.96 120.88 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.525 ' CG1' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -126.94 136.72 59.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.845 179.69 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -133.11 146.25 51.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 51' ' ' ASP . 15.0 t -138.67 146.47 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 6' ' ' THR . 20.2 t -142.88 136.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.16 0.505 . . . . 0.0 110.978 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.846 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.77 129.79 41.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.828 -179.084 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.518 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 22.2 ttpt -102.11 136.17 42.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.325 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.415 HG22 ' CE ' ' A' ' 70' ' ' MET . 38.8 t -116.06 114.73 47.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.581 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -135.65 152.33 51.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.57 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.65 -20.18 7.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.93 -84.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.8 m -129.43 152.63 48.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 111.343 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -95.84 133.88 39.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.296 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.1 m -124.68 137.44 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.043 0.449 . . . . 0.0 111.569 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 98.1 p -134.01 141.53 47.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.31 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.575 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.2 p30 -126.51 150.05 49.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.403 . . . . 0.0 111.135 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.832 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -136.79 142.8 42.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.36 105.15 4.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.054 HD13 HD21 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -100.52 145.41 28.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.181 -179.757 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.427 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 20.3 m-70 -109.38 134.52 51.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.671 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.595 HG21 ' CE1' ' A' ' 88' ' ' HIS . 19.2 t -141.75 117.4 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.331 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 m120 41.19 -94.04 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.811 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.53 29.73 5.36 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.6 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.45 156.92 25.98 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.187 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.427 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 2.0 mt-10 -140.48 126.82 19.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 111.178 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.05 140.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.418 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -133.43 113.67 12.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.977 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.838 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -133.68 163.03 30.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.887 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.7 p -140.14 151.58 45.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.668 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.07 145.6 39.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.313 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.62 147.08 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.623 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' A' ' 72' ' ' ALA . . . -150.3 159.02 27.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.8 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -58.33 -15.81 11.91 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.9 p30 -154.1 176.69 11.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.742 0.306 . . . . 0.0 110.479 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.66 ' HG2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.41 -15.63 60.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.316 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -87.18 -38.62 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.793 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -69.11 -41.71 77.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.011 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.64 75.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.6 mm -75.47 -28.21 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.97 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.27 -53.59 34.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.08 -30.13 72.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.403 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.832 HD11 ' CB ' ' A' ' 52' ' ' ALA . 13.0 tp -67.49 -42.78 82.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.639 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.737 HG21 ' HB3' ' A' ' 23' ' ' LYS . 47.3 mm -80.06 -15.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.161 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.47 -59.56 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 110.605 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -37.33 87.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.526 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -59.29 -49.15 78.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.771 179.652 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.59 -59.73 4.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -32.21 18.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.204 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -75.34 -44.92 42.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.721 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.054 HD21 HD13 ' A' ' 54' ' ' LEU . 3.2 mm? -59.27 -43.29 92.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.414 ' HG1' ' HZ ' ' A' ' 31' ' ' PHE . 1.7 m -64.88 -40.33 94.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -60.36 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.595 ' CE1' HG21 ' A' ' 56' ' ' VAL . 1.1 p80 -69.35 -28.83 66.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.253 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -65.94 -21.26 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.251 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.54 -23.97 58.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -45.52 -30.41 1.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.403 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.66 -73.26 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.27 30.96 15.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.031 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -70.67 -42.76 70.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.795 HD11 HG23 ' A' ' 21' ' ' THR . 1.3 pt? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.342 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.45 155.63 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.688 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -131.72 153.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.214 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.677 ' O ' HG13 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -139.42 118.72 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.133 179.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.646 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -102.02 123.97 8.05 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.95 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -102.14 116.94 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.568 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.5 t30 67.72 34.74 4.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.85 HG21 ' CE ' ' A' ' 70' ' ' MET . 11.6 p -152.25 135.99 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.76 118.12 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.857 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.646 HD11 ' HA3' ' A' ' 7' ' ' GLY . 25.0 mm -81.71 96.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.47 140.09 29.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.765 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -38.3 -36.31 0.22 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.069 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -47.54 65.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.0 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.788 HD21 ' HE3' ' A' ' 70' ' ' MET . 4.4 tp -57.11 -67.3 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.11 -38.17 11.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.38 -45.57 93.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CZ ' ' HE3' ' A' ' 23' ' ' LYS . 59.7 t80 -54.27 -46.85 72.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 t -61.58 -51.66 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.783 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.795 HG23 HD11 ' A' ' 3' ' ' LEU . 2.9 m -63.81 -31.34 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.587 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.14 89.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.634 ' HB3' HG21 ' A' ' 78' ' ' ILE . 23.8 mmtt -65.07 -53.03 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.45 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.787 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 4.4 m-85 -53.0 -44.64 67.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.553 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.98 -55.62 22.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.759 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -28.44 27.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.784 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 82' ' ' ALA . 6.7 mp -80.39 -28.85 37.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.476 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.18 -14.02 22.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.492 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -72.01 -54.01 11.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.798 0.332 . . . . 0.0 111.013 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.1 p90 -93.55 -30.71 14.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.263 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.808 ' HB3' HD11 ' A' ' 34' ' ' ILE . 17.7 m-30 -91.99 118.15 30.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.834 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -108.78 4.05 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.306 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.769 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.7 mmp_? -100.29 57.78 0.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 110.999 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.808 HD11 ' HB3' ' A' ' 31' ' ' PHE . 3.6 mp -140.46 105.85 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -112.08 -54.84 2.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -125.37 116.27 21.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.675 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.787 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 3.2 t -126.12 134.08 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -128.11 125.08 38.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.578 179.257 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.688 ' HB ' HG22 ' A' ' 5' ' ' ILE . 19.2 t -124.0 144.25 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.31 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 6' ' ' THR . 21.6 t -140.42 134.37 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.194 0.521 . . . . 0.0 110.912 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.27 126.11 34.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.669 -179.014 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -102.43 138.42 39.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.325 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.4 t -119.67 109.61 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.41 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -128.82 152.51 48.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.611 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.03 -21.37 3.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.865 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.6 t -85.36 -84.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -129.48 153.78 47.64 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.917 0.389 . . . . 0.0 111.493 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -97.27 133.67 41.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.498 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.6 m -122.73 139.6 53.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 111.396 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.406 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 51.2 p -137.7 144.58 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.679 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.598 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.5 p30 -130.22 145.66 51.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.867 0.365 . . . . 0.0 111.085 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.723 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -132.54 140.73 48.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.63 HG23 ' CD2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -140.66 106.79 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.057 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.69 HD22 HD21 ' A' ' 85' ' ' LEU . 3.0 mp -101.46 145.74 28.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.008 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -107.64 140.12 41.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.769 HG13 ' HB3' ' A' ' 33' ' ' ARG . 35.1 t -136.06 152.85 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -59.95 104.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.032 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.09 -19.97 51.53 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.043 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.22 157.81 27.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.834 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -140.41 129.64 23.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 110.747 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.406 ' H ' HD12 ' A' ' 61' ' ' ILE . 3.6 mp -101.94 139.5 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.042 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.63 ' CD2' HG23 ' A' ' 53' ' ' THR . 17.4 t-160 -133.53 112.28 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.48 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.641 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -135.38 163.37 30.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.221 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.3 p -140.64 150.85 44.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.323 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -141.07 150.73 43.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.001 0.429 . . . . 0.0 111.587 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -119.7 151.08 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.7 160.13 28.63 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.711 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -59.16 -17.27 25.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.593 0.235 . . . . 0.0 111.509 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -153.63 169.65 22.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.744 0.307 . . . . 0.0 110.764 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.85 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -59.76 -19.81 52.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.413 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -85.92 -40.06 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.83 -42.26 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 50' ' ' SER . . . -55.81 -40.36 72.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.411 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.9 mm -73.33 -32.63 38.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.91 -56.1 20.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.96 -28.19 70.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.4 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.745 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 13.0 tp -70.96 -43.96 67.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.634 HG21 ' HB3' ' A' ' 23' ' ' LYS . 46.7 mm -79.52 -15.45 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.68 -56.72 4.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -33.71 76.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.698 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -63.22 -47.89 80.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.561 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -57.53 -57.93 10.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -49.02 -33.82 11.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.34 -40.85 67.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.514 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -60.87 -41.91 96.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.735 179.704 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.614 HG23 ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.06 -41.77 99.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.719 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -55.47 24.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.478 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.5 p-80 -70.93 -25.26 62.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.276 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -70.76 -20.39 62.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.203 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -144.25 164.37 30.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.629 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.1 pt -134.7 154.23 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.821 ' O ' HG13 ' A' ' 40' ' ' VAL . 3.0 m -141.17 119.04 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.171 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.53 126.02 8.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.996 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -97.34 110.76 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.411 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.8 39.2 1.5 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.446 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.602 HG21 HG23 ' A' ' 43' ' ' VAL . 4.7 t -150.87 132.43 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -76.48 118.37 19.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -66.97 95.69 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 p -95.74 129.1 43.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.698 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -37.58 -34.12 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.21 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.32 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 111.323 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.499 ' C ' HD13 ' A' ' 16' ' ' LEU . 2.5 tm? -59.81 -58.83 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -56.07 -42.77 77.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.51 -44.68 89.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -56.34 -44.63 80.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.1 t -64.05 -57.84 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.819 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -60.16 -29.41 68.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.771 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.56 86.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.022 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.554 ' O ' HD13 ' A' ' 27' ' ' LEU . 6.5 mmtt -67.48 -49.25 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.587 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.593 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 4.8 m-85 -49.69 -47.47 50.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.804 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.43 -54.32 28.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.064 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -27.09 55.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 82' ' ' ALA . 10.8 mp -82.92 -25.04 32.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.657 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.06 -13.65 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.564 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -71.9 -47.48 52.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.719 0.295 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.1 p90 -102.35 2.7 37.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.811 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' HB3' HD11 ' A' ' 34' ' ' ILE . 15.4 m-30 -120.46 118.73 31.03 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.45 -27.73 9.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.914 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 70.68 3.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.016 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.475 HD11 ' HB3' ' A' ' 31' ' ' PHE . 31.7 mt -141.48 123.1 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -128.55 -58.7 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.467 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.19 116.96 19.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 111.496 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 3.2 t -127.63 134.73 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -130.44 136.57 49.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.969 0.414 . . . . 0.0 111.105 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 51' ' ' ASP . 14.8 t -129.84 143.88 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.071 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 6' ' ' THR . 22.4 t -141.73 135.08 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.843 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.18 129.74 42.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.732 -178.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -106.65 139.27 41.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.301 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.602 HG23 HG21 ' A' ' 10' ' ' VAL . 54.8 t -117.59 118.74 59.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.179 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -136.89 152.64 50.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.5 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -45.72 -27.69 0.87 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.504 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -89.31 -128.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.49 155.2 23.5 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-O 120.92 0.39 . . . . 0.0 111.347 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.425 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 9.2 m170 -94.75 150.64 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.315 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -134.05 119.8 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 0.0 111.606 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.548 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -128.68 141.83 51.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.568 179.372 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.725 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.1 p30 -124.75 152.09 44.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.136 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -142.3 110.43 5.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.029 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -110.06 111.11 22.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.104 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.574 HD13 HD12 ' A' ' 81' ' ' LEU . 6.4 mp -100.61 145.37 28.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -103.89 137.84 41.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 m -140.47 155.22 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -67.94 106.92 2.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.18 -20.73 9.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.585 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.46 -174.05 42.61 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -140.46 131.78 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.18 140.68 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -133.36 112.16 11.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.834 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.715 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -125.84 155.37 41.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.87 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 149.02 41.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.473 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -142.56 159.2 42.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 111.455 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -122.08 149.59 43.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.626 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.11 157.27 27.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.68 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -16.14 27.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.532 0.206 . . . . 0.0 111.533 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.425 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 1.2 p-10 -150.59 169.12 22.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.836 0.35 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.596 ' CE ' HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -60.86 -19.51 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -89.97 -39.3 13.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 110.816 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.12 -46.17 85.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.548 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -54.17 -34.4 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 78' ' ' ILE . 35.4 mm -76.97 -30.45 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -54.96 19.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.762 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.41 -34.54 79.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 65.9 tp -70.22 -43.06 71.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 74' ' ' ILE . 2.8 tp -75.35 -17.24 15.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.347 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -78.5 -54.69 5.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -67.33 -28.91 68.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.759 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -66.75 -51.07 60.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.563 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.36 -56.2 24.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -52.63 -34.35 50.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.329 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -74.88 -45.14 44.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.967 0.413 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.722 HD13 ' CE1' ' A' ' 88' ' ' HIS . 2.8 mm? -57.97 -41.65 83.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.752 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.1 m -66.45 -40.01 89.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -52.04 -60.13 3.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.024 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.722 ' CE1' HD13 ' A' ' 85' ' ' LEU . 1.5 p-80 -68.29 -20.33 64.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -72.99 -21.69 60.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.201 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.069 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.548 ' HA ' HG23 ' A' ' 37' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -119.51 122.49 41.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.0 mt -100.66 137.48 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.318 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' VAL . 2.4 m -152.0 118.24 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.773 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 136.59 11.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.344 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -84.62 109.47 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.4 t30 70.53 45.22 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.265 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.527 ' CG2' HG23 ' A' ' 43' ' ' VAL . 8.2 t -151.17 134.79 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.41 125.18 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.7 mm -76.64 97.14 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 p -96.98 144.95 26.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.733 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 3.3 mp0 -33.14 -55.22 0.4 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.3 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.45 78.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.18 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.83 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -55.62 -67.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.978 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -40.11 74.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 2.7 tt0 -62.07 -52.71 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.505 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE2' HD13 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -57.83 -45.12 86.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.225 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 16' ' ' LEU . 5.8 t -60.38 -49.48 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.023 0.439 . . . . 0.0 110.464 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -62.26 -30.02 70.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.292 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -54.12 -44.05 70.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.757 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.556 ' O ' HD13 ' A' ' 27' ' ' LEU . 17.7 mmtt -70.16 -55.0 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.58 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.558 ' HE2' HG11 ' A' ' 37' ' ' VAL . 4.1 m-85 -48.67 -51.77 26.71 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.057 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.67 51.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.911 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -26.78 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 23' ' ' LYS . 9.8 mp -82.04 -29.09 32.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.047 0.451 . . . . 0.0 110.689 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.92 -13.65 27.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.613 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.81 -57.99 4.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.716 0.293 . . . . 0.0 111.246 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.508 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -90.72 -11.76 38.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.808 -179.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.463 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 21.8 m-30 -106.13 119.53 39.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -107.92 -24.29 11.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -78.96 73.12 5.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.82 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.3 mt -143.04 123.48 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.0 -65.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -128.99 121.21 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -124.94 136.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -133.89 148.91 51.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.9 t -138.34 145.97 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 6' ' ' THR . 21.7 t -140.39 132.95 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.153 0.502 . . . . 0.0 111.131 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.836 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.75 127.65 37.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.057 -178.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -101.73 135.83 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.066 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.527 HG23 ' CG2' ' A' ' 10' ' ' VAL . 42.4 t -115.15 116.55 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 111.482 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -136.76 152.18 50.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.561 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -55.24 -19.63 8.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.809 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.7 t -84.69 -84.07 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 m -129.36 152.55 48.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.943 0.401 . . . . 0.0 111.416 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 48' ' ' HIS . 4.7 m170 -96.29 133.39 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.396 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.3 m -127.03 138.75 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.939 0.4 . . . . 0.0 111.536 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.62 138.5 30.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.652 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.6 p30 -119.48 148.89 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.446 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -137.19 110.74 8.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 111.333 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.94 107.23 17.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.761 HD13 HD12 ' A' ' 81' ' ' LEU . 8.6 mp -98.33 144.68 27.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.902 0.382 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -105.52 138.64 41.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.985 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 57' ' ' ASN . 21.7 t -131.58 156.33 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.035 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.444 ' N ' HG12 ' A' ' 56' ' ' VAL . 2.2 m120 -61.71 102.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.24 -15.35 62.32 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.882 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.88 157.95 26.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.671 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -139.59 124.96 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.755 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.578 HD11 ' CE1' ' A' ' 88' ' ' HIS . 3.5 mt -102.52 140.62 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -133.47 111.95 11.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.718 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.838 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -130.2 158.31 40.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.96 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -140.9 151.18 44.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.833 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -146.44 166.48 26.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.035 0.445 . . . . 0.0 111.359 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -137.79 159.82 40.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.642 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -160.09 171.27 36.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.663 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -61.73 -12.74 18.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -154.12 176.13 12.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.683 0.277 . . . . 0.0 110.664 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.576 ' HE1' HG12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -59.27 -52.63 64.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.953 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -59.65 -39.12 83.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.6 -55.81 27.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.264 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.44 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.385 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.576 HG12 ' HE1' ' A' ' 70' ' ' MET . 43.1 mm -77.88 -27.54 15.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -55.82 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.603 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.27 -33.18 81.8 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.437 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.833 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 17.6 tp -73.73 -45.9 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 74' ' ' ILE . 1.1 tp -67.97 -19.39 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.286 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -80.23 -48.36 13.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.411 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -65.54 -36.11 82.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.724 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -65.0 -51.89 59.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.58 4.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.868 0.366 . . . . 0.0 110.998 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -50.74 -32.49 19.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.3 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -74.95 -43.89 51.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.736 HD13 ' HE1' ' A' ' 88' ' ' HIS . 3.0 mm? -61.69 -42.05 98.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.412 ' HA ' ' HG2' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -66.15 -41.56 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -61.37 2.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.914 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.736 ' HE1' HD13 ' A' ' 85' ' ' LEU . 2.6 p-80 -67.13 -41.05 86.78 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.478 ' N ' ' CD2' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -66.2 -17.51 64.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.629 0.252 . . . . 0.0 111.335 -179.573 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 120.922 0.391 . . . . 0.0 110.663 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.15 158.58 43.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.47 HD11 ' HB2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -125.75 153.69 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -135.68 162.89 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.234 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.92 125.55 2.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.951 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.1 p30 -96.33 116.13 28.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 5.7 t-20 85.44 -43.21 0.06 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.585 HG22 ' N ' ' A' ' 11' ' ' GLU . 10.5 p -95.64 167.59 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.585 ' N ' HG22 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -110.36 148.7 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.995 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.9 mm -80.73 102.87 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.4 p -94.75 142.55 27.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -36.86 -40.81 0.29 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.16 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -48.02 72.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.047 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.606 HD13 ' HG2' ' A' ' 70' ' ' MET . 20.2 tp -58.23 -60.18 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.661 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 5' ' ' ILE . 3.2 ptt180 -52.4 -41.14 62.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.749 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.2 mm-40 -63.47 -52.45 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -52.8 -49.25 66.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.3 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 16' ' ' LEU . 21.7 t -59.34 -44.66 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -71.21 -30.64 66.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.745 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.89 -44.74 82.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.491 ' O ' HD13 ' A' ' 27' ' ' LEU . 2.1 mmtt -72.12 -48.13 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.54 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CE1' HG11 ' A' ' 37' ' ' VAL . 1.7 m-85 -53.25 -46.37 69.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.631 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.41 71.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.766 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -28.24 67.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.468 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 82' ' ' ALA . 9.3 mp -84.32 -25.14 29.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.66 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.614 ' OE2' HD12 ' A' ' 34' ' ' ILE . 8.5 tp10 -65.95 -13.05 59.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.656 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -66.45 -49.76 65.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.714 0.292 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.51 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -101.64 2.51 38.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.859 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.533 ' HE2' HD23 ' A' ' 27' ' ' LEU . 22.0 m-30 -114.26 118.71 34.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.823 0.344 . . . . 0.0 111.007 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -108.52 -29.32 8.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.96 73.19 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.614 HD12 ' OE2' ' A' ' 28' ' ' GLU . 31.6 mt -144.3 116.66 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.07 -63.26 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.099 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.2 116.84 21.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.89 0.376 . . . . 0.0 111.26 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.501 HG11 ' CE1' ' A' ' 24' ' ' PHE . 20.4 t -124.86 133.05 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.11 137.19 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.992 0.425 . . . . 0.0 110.911 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 51' ' ' ASP . 22.2 t -130.83 145.16 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.182 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.474 ' C ' HD13 ' A' ' 41' ' ' LEU . 21.4 t -142.18 137.13 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.967 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.44 130.14 42.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.798 -179.027 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -101.38 133.93 45.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.359 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.418 HG21 ' HE2' ' A' ' 70' ' ' MET . 21.5 t -114.83 116.33 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -136.48 152.69 50.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.569 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -52.7 -20.02 2.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.918 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.2 t -86.55 -85.96 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.7 m -128.9 154.76 46.2 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.88 0.371 . . . . 0.0 111.474 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -98.87 135.17 40.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.5 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.5 m -129.63 142.93 50.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.875 0.369 . . . . 0.0 111.466 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.8 m -141.35 146.61 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.547 ' O ' HG13 ' A' ' 39' ' ' VAL . 2.3 p30 -128.26 143.52 51.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.698 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.915 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -139.01 110.35 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.973 0.416 . . . . 0.0 111.742 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.8 m -102.74 110.86 22.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.535 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.687 HD13 HD12 ' A' ' 81' ' ' LEU . 10.9 mp -97.09 145.91 25.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.942 0.401 . . . . 0.0 111.197 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.434 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 6.7 m-70 -108.36 138.13 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.887 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 59' ' ' GLY . 27.2 m -120.23 170.07 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -32.44 -54.18 0.33 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -141.51 41.36 1.24 Allowed Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.981 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.402 ' N ' HG23 ' A' ' 56' ' ' VAL . . . -158.89 168.49 35.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.348 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 14.6 mt-10 -136.5 116.37 13.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.974 0.416 . . . . 0.0 111.402 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.7 mt -103.72 139.16 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.417 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -134.04 111.99 10.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.608 0.242 . . . . 0.0 110.981 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.884 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -128.48 157.58 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.805 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.0 m -141.02 148.87 40.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.241 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -144.46 156.64 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 111.877 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.12 160.15 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.054 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' HA3' ' HB1' ' A' ' 72' ' ' ALA . . . -148.95 -67.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.205 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 179.73 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.53 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 1.5 p30 -140.65 176.68 8.59 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.779 0.323 . . . . 0.0 110.401 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.606 ' HG2' HD13 ' A' ' 16' ' ' LEU . 6.0 tpp -62.67 -23.12 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.418 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -90.95 -32.81 15.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.53 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -62.95 -49.87 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.029 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -31.2 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.0 mm -79.55 -24.49 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -52.82 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.733 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.92 -33.81 70.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.285 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.915 HD21 ' HB2' ' A' ' 52' ' ' ALA . 21.3 tp -68.75 -40.63 79.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.409 . . . . 0.0 110.652 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' A' ' 23' ' ' LYS . 38.2 mm -80.64 -13.71 12.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.114 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.21 -54.73 5.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.97 0.414 . . . . 0.0 110.491 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -68.06 -34.92 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.64 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.884 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -64.39 -48.56 74.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.928 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.552 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.82 -55.31 36.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.093 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -53.69 -32.73 52.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.401 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -76.85 -48.72 17.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.756 HD13 ' HE1' ' A' ' 88' ' ' HIS . 2.8 mm? -58.04 -42.78 86.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.838 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.7 m -66.37 -39.58 89.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -61.17 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.756 ' HE1' HD13 ' A' ' 85' ' ' LEU . 1.7 p-80 -66.85 -26.68 67.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.188 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -19.91 63.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.284 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 111.0 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.567 HD11 HG23 ' A' ' 21' ' ' THR . 1.8 pt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.54 167.84 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 mt -126.55 153.61 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.659 ' O ' HG13 ' A' ' 40' ' ' VAL . 1.3 m -129.71 118.91 22.62 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.58 123.76 8.01 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.123 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -114.94 109.46 18.16 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 70.52 30.28 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.362 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.475 HG11 HD23 ' A' ' 41' ' ' LEU . 9.7 p -151.64 135.64 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.832 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.04 119.54 23.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.153 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.98 99.28 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.678 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -97.71 146.2 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -38.36 -33.48 0.1 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.991 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.28 -48.41 34.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.752 HD21 ' SD ' ' A' ' 70' ' ' MET . 0.9 OUTLIER -57.96 -66.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -38.61 23.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -62.81 -43.22 99.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -55.71 -47.11 77.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.2 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -61.39 -48.43 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.567 HG23 HD11 ' A' ' 3' ' ' LEU . 2.0 m -68.16 -32.42 72.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.29 -43.45 78.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HB3' HG21 ' A' ' 78' ' ' ILE . 16.4 mmtt -70.21 -51.74 28.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.606 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.8 m-85 -52.25 -45.58 65.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.579 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.35 69.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.716 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -27.96 58.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.483 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 8.5 mp -82.29 -27.91 32.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.525 ' HG2' HD13 ' A' ' 34' ' ' ILE . 2.6 mm-40 -63.88 -13.08 42.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.597 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.76 -56.32 8.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.765 0.317 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.483 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -89.41 -24.66 21.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.299 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.511 ' CZ ' HG23 ' A' ' 86' ' ' THR . 21.2 m-30 -92.89 127.1 38.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.729 0.3 . . . . 0.0 110.582 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -105.3 -31.5 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.012 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.764 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -70.28 66.53 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.971 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.525 HD13 ' HG2' ' A' ' 28' ' ' GLU . 26.7 mt -138.15 109.79 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -123.57 -58.94 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.57 116.68 20.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.981 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.606 HG11 ' CE1' ' A' ' 24' ' ' PHE . 22.1 t -130.95 135.56 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.29 132.91 47.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.067 0.46 . . . . 0.0 110.936 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 51' ' ' ASP . 13.4 t -123.16 144.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.296 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 6' ' ' THR . 23.1 t -141.54 131.95 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.011 0.434 . . . . 0.0 110.825 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.866 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.2 128.41 39.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.977 -178.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -103.9 138.56 40.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.202 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.48 HG13 ' CE1' ' A' ' 48' ' ' HIS . 25.6 t -119.89 114.32 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -132.89 152.72 51.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.459 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -51.53 -20.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.001 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.72 -85.23 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.2 m -129.09 154.22 46.89 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 111.42 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.48 ' CE1' HG13 ' A' ' 43' ' ' VAL . 6.1 m-70 -99.38 136.62 39.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.612 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.4 m -127.19 136.14 51.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.251 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -137.62 148.4 45.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.737 ' O ' HG13 ' A' ' 39' ' ' VAL . 2.9 p30 -132.62 158.4 42.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.761 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -152.08 110.89 3.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.036 0.446 . . . . 0.0 111.615 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -103.82 109.14 20.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.752 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.55 HD13 HD12 ' A' ' 81' ' ' LEU . 7.7 mp -95.71 143.99 26.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.949 0.404 . . . . 0.0 110.975 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -101.72 136.06 42.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.764 HG13 ' HB3' ' A' ' 33' ' ' ARG . 22.0 t -135.35 146.36 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -59.32 105.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.769 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.73 -21.39 42.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.138 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.65 163.96 30.14 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.909 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -137.61 127.98 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.723 0.297 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mt -102.37 138.91 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -133.18 112.22 11.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.652 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.858 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -125.77 156.89 38.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.698 0.285 . . . . 0.0 111.248 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -140.78 147.07 38.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.319 179.532 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -144.53 164.57 30.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 111.394 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.7 162.17 36.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.533 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.01 174.67 39.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.73 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -16.93 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.498 ' OD1' ' HB2' ' A' ' 72' ' ' ALA . 6.2 p-10 -153.41 174.32 14.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 110.6 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.752 ' SD ' HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -60.52 -53.33 58.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.934 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.613 ' CE1' HD22 ' A' ' 16' ' ' LEU . 58.4 m-85 -58.24 -40.01 80.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB2' ' OD1' ' A' ' 69' ' ' ASP . . . -55.82 -53.47 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.88 -34.54 55.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.311 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.49 -29.81 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -68.62 -53.47 22.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.787 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.29 -31.72 68.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.398 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.761 HD11 ' HB3' ' A' ' 52' ' ' ALA . 3.2 tm? -69.19 -41.54 77.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.471 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 23' ' ' LYS . 43.0 mm -79.99 -14.81 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.83 -55.95 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 110.62 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -32.47 73.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.708 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.858 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -63.84 -48.28 77.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.814 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -55.87 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -52.7 -33.91 49.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.299 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -45.68 39.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.77 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.67 HD13 ' HE1' ' A' ' 88' ' ' HIS . 0.6 OUTLIER -59.59 -41.0 89.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.84 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -66.54 -40.53 89.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -54.82 42.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.828 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.67 ' HE1' HD13 ' A' ' 85' ' ' LEU . 2.9 p-80 -72.37 -42.17 65.57 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.458 ' CG ' ' HA ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -63.38 -17.31 62.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.508 -179.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.789 0.328 . . . . 0.0 111.022 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.613 HD21 HG23 ' A' ' 21' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.46 0.057 0 CA-C-O 120.793 0.33 . . . . 0.0 111.095 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -121.93 128.27 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.739 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.1 mt -102.0 137.62 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.468 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 2.8 m -151.85 118.31 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.753 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.0 136.73 10.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.17 -1.014 . . . . 0.0 113.489 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -84.45 109.73 18.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 t30 71.57 44.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.073 0.463 . . . . 0.0 110.191 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 43' ' ' VAL . 16.6 t -151.57 135.61 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.74 126.01 36.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -79.33 98.41 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.8 p -103.46 153.87 20.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -33.01 -53.99 0.37 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.256 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.24 82.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.709 HD21 ' SD ' ' A' ' 70' ' ' MET . 0.1 OUTLIER -56.99 -55.27 36.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.3 ptp180 -61.39 -42.46 98.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 3.8 mm-40 -61.93 -55.52 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -45.77 -53.77 9.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.828 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 16' ' ' LEU . 13.1 t -61.48 -53.09 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.264 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.613 HG23 HD21 ' A' ' 3' ' ' LEU . 38.8 m -60.03 -31.09 69.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.18 89.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.856 ' HB3' HG21 ' A' ' 78' ' ' ILE . 10.8 mmtt -67.26 -55.23 14.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.83 -47.94 60.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.04 47.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.0 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -28.47 41.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD23 ' HE2' ' A' ' 31' ' ' PHE . 7.9 mp -81.32 -29.74 34.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.34 -14.64 41.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.635 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.14 -59.48 2.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.342 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.47 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.1 p90 -87.63 2.39 51.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.94 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.629 ' CB ' HD11 ' A' ' 34' ' ' ILE . 15.3 m-30 -116.13 118.29 32.44 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.656 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.81 4.12 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.556 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.33 62.18 0.63 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 111.092 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.629 HD11 ' CB ' ' A' ' 31' ' ' PHE . 4.4 mt -128.97 123.64 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -121.99 -62.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.104 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -128.87 118.25 22.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -127.84 136.27 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -134.23 148.9 50.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.997 0.427 . . . . 0.0 111.076 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.9 t -136.33 145.75 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.15 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 6' ' ' THR . 20.6 t -142.67 131.35 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 111.144 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.848 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.64 129.16 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.979 -178.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -100.83 137.96 38.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.097 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.483 HG23 ' CG2' ' A' ' 10' ' ' VAL . 40.1 t -117.5 110.31 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.473 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -130.27 152.33 49.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.425 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -20.73 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.819 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -84.5 -84.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.7 m -129.49 152.6 48.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.865 0.364 . . . . 0.0 111.447 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -97.23 132.05 43.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.241 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.4 m -125.68 139.57 53.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.571 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.409 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 8.9 m -140.36 139.39 35.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.766 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -119.1 145.63 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.04 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.861 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -133.52 110.99 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.321 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.4 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 4.5 m -110.66 106.11 15.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.704 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.642 HD13 HD12 ' A' ' 81' ' ' LEU . 6.1 mp -100.02 145.7 27.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -94.35 125.02 38.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.632 HG13 ' NE2' ' A' ' 88' ' ' HIS . 2.1 t -105.65 168.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.777 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.533 ' H ' HG12 ' A' ' 56' ' ' VAL . 8.7 m120 -47.06 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.192 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.47 29.19 9.3 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.508 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -165.43 174.87 41.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -140.31 130.31 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -102.14 137.95 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.0 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -133.52 112.3 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.833 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -128.18 159.89 33.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.823 0.344 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 m -140.61 120.23 13.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.329 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -111.9 143.53 42.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.013 0.435 . . . . 0.0 111.441 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.23 149.23 30.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.565 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.48 159.05 27.96 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.705 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.51 -16.11 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.533 0.206 . . . . 0.0 111.46 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.61 167.73 26.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.745 0.307 . . . . 0.0 110.816 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.709 ' SD ' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.95 -19.79 53.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.212 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -86.8 -38.23 17.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.758 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.87 94.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -54.29 -38.26 65.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.315 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.9 mm -73.93 -35.11 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -56.75 17.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.693 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.48 -26.82 73.55 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.288 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.861 HD11 ' HB3' ' A' ' 52' ' ' ALA . 13.5 tp -69.47 -44.65 70.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.066 0.46 . . . . 0.0 110.843 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' A' ' 23' ' ' LYS . 49.9 mm -80.15 -14.64 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.109 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.9 -58.25 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.314 . . . . 0.0 110.434 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -32.86 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.737 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -63.23 -47.79 81.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.816 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.528 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -57.85 -57.64 11.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -50.2 -33.62 19.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -75.63 -44.88 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.608 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.717 HD13 ' HE1' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -58.84 -44.48 90.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.772 179.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.9 m -63.09 -41.42 99.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -52.21 -54.14 34.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.717 ' HE1' HD13 ' A' ' 85' ' ' LEU . 2.3 p-80 -73.93 -16.82 61.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.304 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -24.83 58.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.323 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.289 -179.814 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -142.21 159.95 41.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.54 HD11 ' HB3' ' A' ' 17' ' ' ARG . 1.1 pt -131.88 154.07 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.772 ' O ' HG13 ' A' ' 40' ' ' VAL . 89.6 m -139.2 118.57 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.852 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.692 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -100.39 130.34 10.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.976 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 8' ' ' ASN . 3.0 p30 -107.89 109.96 21.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 110.519 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.8 t30 72.21 34.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.667 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.83 HG21 ' CE ' ' A' ' 70' ' ' MET . 10.8 p -152.03 135.62 8.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.936 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.28 119.58 17.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.692 HD11 ' HA3' ' A' ' 7' ' ' GLY . 24.6 mm -82.5 93.84 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -98.14 145.56 26.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -36.95 -43.69 0.47 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.32 -45.12 76.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.987 0.422 . . . . 0.0 111.067 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.831 ' O ' HG23 ' A' ' 20' ' ' VAL . 10.4 tp -55.83 -67.77 0.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.915 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HB3' HD11 ' A' ' 5' ' ' ILE . 6.8 ptm180 -52.1 -39.52 59.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.745 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -64.01 -55.21 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.452 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.702 ' HE2' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.44 -45.9 90.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.334 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 16' ' ' LEU . 5.5 t -63.52 -51.88 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 110.608 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.8 m -62.83 -38.21 89.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.402 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.89 -40.09 63.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HB3' HG21 ' A' ' 78' ' ' ILE . 5.5 mmtt -67.37 -54.19 22.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.31 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.729 ' CE1' HG11 ' A' ' 37' ' ' VAL . 3.3 m-85 -52.19 -44.17 64.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.499 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.03 -52.63 62.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.707 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.71 -28.09 20.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.745 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 82' ' ' ALA . 6.7 mp -81.81 -29.83 32.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.41 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.12 -13.99 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.524 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -72.05 -53.6 12.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.2 p90 -93.52 -24.23 18.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.398 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.743 ' HB3' HD11 ' A' ' 34' ' ' ILE . 21.3 m-30 -101.21 118.79 37.68 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.678 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.22 -1.38 20.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.391 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.63 ' O ' HG12 ' A' ' 56' ' ' VAL . 11.3 mtt-85 -90.45 50.74 1.88 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.743 HD11 ' HB3' ' A' ' 31' ' ' PHE . 3.5 mp -139.0 113.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -113.32 -56.12 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -126.32 116.76 21.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.729 HG11 ' CE1' ' A' ' 24' ' ' PHE . 18.9 t -122.05 134.08 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.4 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -128.9 125.66 38.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 51' ' ' ASP . 6.7 t -122.3 146.76 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.525 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.772 HG13 ' O ' ' A' ' 6' ' ' THR . 21.3 t -141.81 134.27 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.21 0.529 . . . . 0.0 110.793 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.848 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.32 129.37 41.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.801 -178.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -108.27 137.12 46.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.499 HG13 ' CE1' ' A' ' 48' ' ' HIS . 21.9 t -117.65 116.92 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.242 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -136.63 152.97 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.676 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -53.64 -17.4 2.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.13 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -85.53 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.0 m -128.9 153.73 47.21 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.864 0.364 . . . . 0.0 111.45 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.499 ' CE1' HG13 ' A' ' 43' ' ' VAL . 12.3 m-70 -95.82 140.19 30.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 m -128.1 131.69 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 111.48 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -134.17 143.16 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.571 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.676 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.1 p30 -133.4 149.77 51.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.803 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.783 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -147.48 110.96 4.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.04 0.448 . . . . 0.0 111.689 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.408 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.9 m -103.18 111.89 24.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.719 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.817 HD13 HD12 ' A' ' 81' ' ' LEU . 5.2 mp -100.1 145.91 27.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 111.211 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.441 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 14.2 m-70 -105.2 135.91 45.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.779 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 33' ' ' ARG . 20.7 m -140.86 117.49 7.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.251 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m120 39.77 -94.89 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.824 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.47 33.11 4.43 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.7 158.44 27.06 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.213 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 1.9 mp0 -137.93 118.93 14.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 0.0 111.213 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 mp -102.22 141.86 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.507 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.401 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 13.7 t-160 -132.73 112.16 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.701 0.286 . . . . 0.0 111.112 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.904 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -123.48 148.9 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.834 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.4 m -141.53 126.98 18.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.472 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -121.92 164.96 16.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.995 0.426 . . . . 0.0 111.409 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.18 148.57 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.395 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.77 156.77 27.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.688 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -56.76 -17.34 8.76 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.99 173.17 14.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.817 0.341 . . . . 0.0 110.827 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.83 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -63.88 -17.86 63.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.453 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -90.31 -38.16 13.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.933 0.397 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.05 79.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.87 -33.77 62.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.411 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 50.2 mm -79.69 -29.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -65.25 -54.76 24.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.556 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.11 -35.34 83.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.571 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.783 HD11 ' HB3' ' A' ' 52' ' ' ALA . 2.1 tm? -69.55 -41.93 75.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 110.743 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.455 HG21 ' HB3' ' A' ' 23' ' ' LYS . 30.7 mm -75.33 -17.31 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -78.17 -53.51 7.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.33 . . . . 0.0 110.719 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 65' ' ' ALA . 7.9 ptpt -68.61 -31.21 70.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.904 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -64.89 -48.82 72.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.509 179.616 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.592 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.06 -56.87 15.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.75 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -51.31 -32.03 23.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -72.45 -39.46 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.531 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 81' ' ' LEU . 1.7 mp -60.84 -40.71 93.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.627 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.492 HG23 ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -65.6 -39.28 91.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.684 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -61.41 2.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.234 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.563 ' CE1' HG11 ' A' ' 56' ' ' VAL . 2.2 p-80 -69.43 -20.1 63.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.442 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -18.9 44.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.319 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.031 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.727 HD11 HG23 ' A' ' 21' ' ' THR . 2.6 pt? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.62 156.92 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.7 mt -120.6 151.23 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.634 ' O ' HG13 ' A' ' 40' ' ' VAL . 4.0 m -151.68 118.61 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . -114.53 139.28 15.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.246 -0.978 . . . . 0.0 113.518 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -98.6 109.59 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 110.257 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.0 t30 72.62 38.13 0.81 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.716 HG11 HD23 ' A' ' 41' ' ' LEU . 8.7 p -152.01 136.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.94 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -86.97 125.79 34.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 111.202 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.0 mm -89.3 101.25 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.417 ' OG1' HD23 ' A' ' 16' ' ' LEU . 16.5 p -99.91 150.22 22.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -34.51 -44.38 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.65 73.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.707 HD12 ' HE3' ' A' ' 70' ' ' MET . 3.5 mm? -59.89 -56.0 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -58.91 -43.63 91.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -60.74 -46.94 88.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 71' ' ' TYR . 29.3 t80 -51.65 -48.17 63.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.39 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 t -62.41 -52.99 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.727 HG23 HD11 ' A' ' 3' ' ' LEU . 2.1 m -63.34 -29.73 70.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.044 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -46.02 91.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.178 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.615 ' HB3' HG21 ' A' ' 78' ' ' ILE . 42.5 mmtt -66.39 -52.47 46.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.668 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.72 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 2.6 m-85 -51.26 -44.75 61.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.59 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.14 -55.25 25.59 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.908 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.92 -28.09 21.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 6.4 mp -80.52 -28.47 37.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.061 0.457 . . . . 0.0 110.58 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -14.01 25.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.467 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -72.19 -55.1 7.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.1 p90 -91.9 -26.41 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.396 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.79 ' HB3' HD11 ' A' ' 34' ' ' ILE . 20.7 m-30 -98.85 118.6 35.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.932 0.396 . . . . 0.0 110.697 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -108.43 -12.49 15.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.305 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.934 ' HB3' HG23 ' A' ' 56' ' ' VAL . 1.1 mmp_? -81.9 58.52 3.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.917 0.389 . . . . 0.0 111.079 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.79 HD11 ' HB3' ' A' ' 31' ' ' PHE . 3.7 mp -140.88 115.42 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.006 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -117.25 -56.42 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.741 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.27 116.52 21.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.72 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 4.6 t -125.54 134.77 65.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -129.96 129.82 44.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 179.514 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.45 147.19 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.439 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 6' ' ' THR . 21.8 t -143.55 130.49 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.208 0.528 . . . . 0.0 110.671 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.871 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.41 129.7 41.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.747 -178.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -105.29 131.58 52.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.29 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.44 HG23 ' HB ' ' A' ' 10' ' ' VAL . 22.0 t -114.64 114.17 45.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.419 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 47' ' ' THR . 8.1 pt-20 -135.9 152.45 51.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.567 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -54.51 -19.77 6.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.824 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -83.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 1.2 m -129.09 151.76 49.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.947 0.403 . . . . 0.0 111.465 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 22.9 m-70 -99.93 133.45 44.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.258 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.8 m -128.99 140.15 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.105 0.478 . . . . 0.0 111.829 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.655 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 18.3 p -134.81 144.45 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.492 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 3.0 p30 -136.0 150.93 49.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.865 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.813 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -148.94 116.04 6.06 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.257 0.551 . . . . 0.0 111.736 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.446 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 10.6 m -102.25 111.34 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.444 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.631 ' CD2' HD11 ' A' ' 85' ' ' LEU . 7.0 mp -101.03 146.12 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.032 0.444 . . . . 0.0 111.36 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.428 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 18.7 m-70 -105.97 136.9 44.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.753 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.934 HG23 ' HB3' ' A' ' 33' ' ' ARG . 8.2 p -140.81 117.45 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.399 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 39.65 -95.07 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.945 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -119.12 33.43 4.72 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.655 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.99 161.4 28.57 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.187 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 3.5 mt-10 -140.12 122.8 16.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mt -102.04 141.36 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -133.35 111.86 11.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.981 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -123.76 155.19 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.651 0.262 . . . . 0.0 111.158 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 77.7 p -141.17 118.06 11.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.355 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.766 ' N ' HD23 ' A' ' 77' ' ' LEU . . . -115.32 157.56 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 111.562 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -136.3 160.85 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.485 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.25 -107.55 0.49 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.384 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -131.62 -16.83 2.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.641 0.258 . . . . 0.0 111.145 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.432 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 5.9 p-10 -157.85 176.95 11.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.301 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.707 ' HE3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -53.18 -57.54 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.688 0.28 . . . . 0.0 111.175 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -53.88 -43.3 69.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.423 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.432 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -60.83 -48.51 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.337 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.655 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -52.25 -32.75 38.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.57 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.5 mm -71.4 -50.55 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.46 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -51.18 -53.74 32.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.583 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.97 -46.46 94.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.801 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 52' ' ' ALA . 1.7 tm? -62.14 -41.41 98.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.742 0.306 . . . . 0.0 111.296 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.615 HG21 ' HB3' ' A' ' 23' ' ' LYS . 39.1 mm -69.5 -19.71 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 111.145 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -76.7 -54.3 6.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 0.0 110.534 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -62.98 -40.35 97.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.785 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.981 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -59.45 -47.85 83.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.977 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -54.98 -63.1 1.26 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.876 0.369 . . . . 0.0 111.015 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 mmm-85 -49.61 -30.71 9.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -73.01 -39.42 66.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.644 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.832 HD12 ' O ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -60.69 -42.51 97.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.796 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.0 m -65.32 -39.07 91.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.721 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -54.66 -61.87 2.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.286 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.2 p-80 -67.68 -24.86 65.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.407 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -75.78 -15.56 60.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.251 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 111.04 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.672 ' CD1' HG23 ' A' ' 21' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -132.09 138.34 48.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.69 153.01 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.815 ' O ' HG13 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -134.26 118.95 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.056 179.432 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.795 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -98.97 123.99 8.08 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.993 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.497 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 10.5 p30 -107.04 111.62 24.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.427 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.4 t30 65.21 37.63 6.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.673 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.78 HG21 ' CE ' ' A' ' 70' ' ' MET . 9.3 p -151.46 133.83 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.87 116.71 13.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.795 HD11 ' HA3' ' A' ' 7' ' ' GLY . 26.0 mm -80.31 94.04 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.78 141.89 28.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.713 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.06 -38.3 0.32 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.091 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -46.64 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.486 HD11 ' HE3' ' A' ' 70' ' ' MET . 3.8 tp -56.84 -68.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 5.7 ptt-85 -47.47 -38.05 12.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.1 mt-10 -61.17 -47.49 85.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -54.55 -46.78 73.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 t -62.14 -52.82 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.672 HG23 ' CD1' ' A' ' 3' ' ' LEU . 1.5 m -63.25 -31.3 72.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.62 91.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.584 ' HB3' HG21 ' A' ' 78' ' ' ILE . 26.2 mmtt -65.61 -54.03 33.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.592 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -51.8 -44.37 63.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.701 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.32 -54.65 33.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -54.03 -28.19 36.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 23' ' ' LYS . 8.9 mp -82.57 -27.92 31.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.643 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -13.78 46.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.623 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -68.46 -58.28 4.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.863 0.364 . . . . 0.0 110.961 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 1.3 p90 -86.57 -12.41 48.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.494 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CB ' HD11 ' A' ' 34' ' ' ILE . 18.2 m-30 -103.72 119.94 39.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.703 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -107.67 -27.3 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -78.44 65.89 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.567 HD11 ' CB ' ' A' ' 31' ' ' PHE . 28.6 mt -138.89 123.22 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.7 -57.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.162 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -129.03 117.1 20.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.913 0.387 . . . . 0.0 111.004 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -123.66 136.08 61.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.78 137.69 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.981 0.42 . . . . 0.0 110.983 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.701 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.1 t -135.96 146.16 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.096 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 6' ' ' THR . 21.5 t -143.84 137.12 24.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.166 0.508 . . . . 0.0 111.106 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.805 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.37 130.98 43.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.901 -179.087 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 8.5 ttpt -102.79 134.81 45.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.107 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.1 t -115.39 116.39 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.608 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.79 152.27 50.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.511 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.05 -21.11 4.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.813 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.1 t -84.63 -84.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -129.53 154.26 47.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.036 0.446 . . . . 0.0 111.398 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 69' ' ' ASP . 7.5 m-70 -101.88 134.09 45.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.32 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.7 m -129.2 142.13 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.03 0.443 . . . . 0.0 111.614 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -137.86 145.14 41.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.784 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.701 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.0 p30 -122.98 147.27 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.08 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.795 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -132.81 141.03 48.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.255 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.715 HG23 ' CG ' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -140.47 105.99 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.956 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.753 HD13 HD21 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -100.37 143.66 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 111.048 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -104.09 138.05 41.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.421 HG13 ' CB ' ' A' ' 33' ' ' ARG . 9.6 t -135.74 153.13 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.68 106.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.67 -22.21 40.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.918 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.89 163.13 29.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.738 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -140.4 132.0 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.66 0.267 . . . . 0.0 110.828 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 mp -101.49 137.69 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.09 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.715 ' CG ' HG23 ' A' ' 53' ' ' THR . 5.6 t-160 -133.89 112.06 10.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.497 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -140.81 166.14 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.252 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 m -140.64 150.32 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.157 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HB3' ' CA ' ' A' ' 77' ' ' LEU . . . -141.74 154.53 45.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.101 0.477 . . . . 0.0 111.635 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -138.24 162.6 33.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.429 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.82 -99.74 0.23 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.606 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.532 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 32.8 tt0 -139.69 -21.7 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.439 ' HA ' ' CG ' ' A' ' 48' ' ' HIS . 3.7 p-10 -153.63 176.59 11.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.712 0.291 . . . . 0.0 110.596 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.78 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -58.01 -23.3 53.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.498 -179.693 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -85.19 -41.53 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.024 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.532 ' HB3' ' H ' ' A' ' 68' ' ' GLN . . . -68.69 -39.48 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.43 73.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.1 mm -75.66 -31.29 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.776 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -55.15 29.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.701 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.46 -29.07 71.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.364 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.795 HD11 ' CB ' ' A' ' 52' ' ' ALA . 16.4 tp -68.03 -42.97 79.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.625 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.584 HG21 ' HB3' ' A' ' 23' ' ' LYS . 46.8 mm -79.95 -15.7 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.106 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.58 -59.03 2.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.446 ' HE2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -65.81 -35.95 82.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.638 HD12 HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -61.18 -49.68 76.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.752 179.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -54.6 -58.78 6.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.051 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -49.7 -32.21 12.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.77 -45.87 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.779 HD13 ' HE1' ' A' ' 88' ' ' HIS . 3.0 mm? -59.1 -43.99 91.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.95 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.562 HG23 ' CE1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -67.03 -41.47 86.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.287 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -53.03 -64.61 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.451 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.779 ' HE1' HD13 ' A' ' 85' ' ' LEU . 5.5 p-80 -62.04 -42.59 99.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.074 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 88' ' ' HIS . 0.8 OUTLIER -58.86 -20.31 49.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.279 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.868 0.366 . . . . 0.0 110.816 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.691 0.281 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -145.31 164.96 29.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.53 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -129.98 153.73 39.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.85 ' O ' HG13 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -134.45 119.01 18.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.307 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.425 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -101.74 120.14 6.74 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.968 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -104.44 111.71 24.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 0.0 110.433 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 68.39 33.42 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.53 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.766 HG21 ' CE ' ' A' ' 70' ' ' MET . 9.6 p -151.35 134.33 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.15 116.9 18.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.425 HD11 ' HA3' ' A' ' 7' ' ' GLY . 25.3 mm -72.83 94.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -91.46 134.63 34.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.621 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -37.34 -35.53 0.12 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.071 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -47.21 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.172 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.492 HD21 ' HG2' ' A' ' 70' ' ' MET . 0.2 OUTLIER -59.41 -57.19 14.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 2.3 ptm180 -55.84 -42.38 75.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 1.2 mm-40 -58.53 -45.01 89.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -57.43 -44.71 84.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 16' ' ' LEU . 20.1 t -61.56 -53.13 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 m -63.03 -30.32 71.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.98 86.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.602 ' HB3' HG21 ' A' ' 78' ' ' ILE . 9.5 mmtt -67.42 -51.05 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.726 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.7 m-85 -51.93 -46.59 64.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.37 -51.98 55.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.622 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.13 -29.13 43.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 8.1 mp -78.61 -32.24 47.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.457 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -14.94 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.636 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -72.71 -53.0 12.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.733 0.302 . . . . 0.0 110.967 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.9 p90 -95.46 -23.96 16.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.412 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 85' ' ' LEU . 12.0 m-85 -99.14 118.86 36.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.74 -27.74 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -70.48 66.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.1 mt -139.46 111.88 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.95 -58.91 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.84 116.53 21.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.837 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.726 HG11 ' CE1' ' A' ' 24' ' ' PHE . 11.6 t -127.37 134.47 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.63 132.87 46.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.704 179.457 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 51' ' ' ASP . 17.2 t -127.26 145.22 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.371 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.85 HG13 ' O ' ' A' ' 6' ' ' THR . 26.6 t -142.82 136.13 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.29 128.77 40.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.704 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -106.58 141.04 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.516 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.599 HG13 ' CE1' ' A' ' 48' ' ' HIS . 22.8 t -120.17 113.66 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.366 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 47' ' ' THR . 8.4 pt-20 -132.72 152.74 51.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.561 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -20.37 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.157 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.2 t -88.24 -84.8 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.418 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 13.1 t -130.09 154.08 47.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.976 0.417 . . . . 0.0 111.582 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.599 ' CE1' HG13 ' A' ' 43' ' ' VAL . 10.6 m170 -94.71 138.1 32.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.231 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.1 m -126.87 130.67 50.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.937 0.399 . . . . 0.0 111.566 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.0 p -130.08 145.32 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.458 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.543 ' O ' HG13 ' A' ' 39' ' ' VAL . 7.4 p30 -127.98 143.04 51.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.18 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.859 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -135.22 110.82 9.2 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.451 HG23 ' CG ' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -112.07 108.2 17.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.112 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.643 HD22 HD11 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -99.21 145.44 27.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -101.0 133.49 45.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 57' ' ' ASN . 21.6 t -132.94 154.56 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.409 ' N ' HG12 ' A' ' 56' ' ' VAL . 79.4 m-20 -69.09 103.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.16 -20.38 30.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.666 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.49 170.93 36.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.606 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -140.56 134.95 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.648 0.261 . . . . 0.0 110.598 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.408 HD11 HG21 ' A' ' 56' ' ' VAL . 3.0 mp -101.83 136.66 32.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 111.2 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.451 ' CG ' HG23 ' A' ' 53' ' ' THR . 3.8 t-160 -133.57 112.56 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.507 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.717 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -137.43 164.12 29.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.876 0.37 . . . . 0.0 111.322 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.7 p -140.61 153.17 45.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.404 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -143.69 134.02 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 111.488 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -104.95 155.44 18.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.585 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.68 167.16 33.57 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.664 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -61.96 -14.76 38.05 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.703 0.261 . . . . 0.0 111.703 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.437 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 0.9 OUTLIER -156.84 176.01 13.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.766 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -63.62 -17.13 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.33 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -87.6 -40.31 14.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.829 0.347 . . . . 0.0 110.804 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.34 92.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.22 -39.64 66.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.0 mm -72.6 -32.52 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.898 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -56.45 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.09 -22.09 78.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.247 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.859 HD11 ' CB ' ' A' ' 52' ' ' ALA . 13.3 tp -73.94 -45.65 49.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.701 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.602 HG21 ' HB3' ' A' ' 23' ' ' LYS . 49.8 mm -79.06 -15.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.09 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.83 -57.22 3.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 110.536 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -65.64 -33.32 75.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -65.36 -47.54 76.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.019 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.68 -56.52 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 111.001 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -51.06 -35.87 36.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.357 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -74.01 -44.48 54.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 110.38 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.689 HD13 ' HE1' ' A' ' 88' ' ' HIS . 0.2 OUTLIER -57.79 -43.04 85.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.485 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.24 99.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.744 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -51.11 -53.45 34.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.77 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.689 ' HE1' HD13 ' A' ' 85' ' ' LEU . 2.5 p-80 -75.45 -20.92 58.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -26.03 67.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.07 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -139.51 154.6 47.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.3 mt -117.82 149.43 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.308 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 3.0 m -151.72 118.28 5.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.736 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.43 136.59 12.95 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.511 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -90.53 109.34 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 70.51 41.61 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.528 ' CG2' HG23 ' A' ' 43' ' ' VAL . 6.0 t -151.22 134.54 7.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -88.74 124.27 33.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.966 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -71.77 109.95 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.8 p -114.09 144.93 42.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -33.25 -51.95 0.35 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.33 85.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -56.03 -53.68 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.851 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -67.46 -41.48 84.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.788 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.58 -55.86 23.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.456 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -51.2 -48.78 61.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.088 -179.346 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 16' ' ' LEU . 24.6 t -60.65 -52.57 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.21 0.529 . . . . 0.0 110.364 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -59.85 -23.59 63.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.619 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -55.74 -45.69 77.96 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.792 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.855 ' O ' HD13 ' A' ' 27' ' ' LEU . 15.0 mmtm -72.55 -43.15 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.945 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.587 ' CE1' HG11 ' A' ' 37' ' ' VAL . 5.4 m-85 -62.67 -13.44 32.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.101 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.26 -54.36 5.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.949 0.404 . . . . 0.0 110.32 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -68.0 -15.98 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.942 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.855 HD13 ' O ' ' A' ' 23' ' ' LYS . 10.6 mp -87.58 -37.14 17.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.526 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.28 -15.72 17.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.35 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -55.92 8.58 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.597 0.237 . . . . 0.0 111.16 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.4 p90 -90.22 -23.37 21.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.507 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 18.5 m-30 -93.47 118.79 31.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.806 0.336 . . . . 0.0 110.649 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.08 -31.69 9.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.72 69.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.9 mt -141.08 111.16 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -120.99 -56.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.722 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -127.5 116.55 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.769 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.587 HG11 ' CE1' ' A' ' 24' ' ' PHE . 2.9 t -124.24 135.8 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.54 129.8 41.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.095 0.474 . . . . 0.0 110.948 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.7 t -119.27 146.92 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.032 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.48 ' C ' HD13 ' A' ' 41' ' ' LEU . 21.4 t -144.54 131.13 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-O 121.301 0.572 . . . . 0.0 111.082 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.883 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.51 129.29 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.67 -178.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -107.1 138.27 43.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.326 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.62 HG22 ' CE ' ' A' ' 70' ' ' MET . 39.9 t -117.65 117.66 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.255 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -136.69 152.73 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.655 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -17.59 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.947 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -84.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 m -129.1 152.72 48.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 111.577 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -94.52 137.61 33.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.353 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.4 m -130.94 134.67 46.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.056 0.455 . . . . 0.0 111.719 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.637 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 87.7 p -134.22 147.64 50.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.547 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -136.48 145.25 44.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.444 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -141.17 111.22 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.988 0.423 . . . . 0.0 111.42 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.421 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 4.4 m -105.01 112.04 25.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.51 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.686 HD13 ' CD2' ' A' ' 81' ' ' LEU . 7.1 mp -99.8 145.73 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.928 0.394 . . . . 0.0 111.287 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -94.25 129.09 41.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG12 ' H ' ' A' ' 57' ' ' ASN . 2.7 t -105.55 166.29 3.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.485 ' H ' HG12 ' A' ' 56' ' ' VAL . 52.7 m-20 -46.63 -71.06 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.09 30.46 8.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.246 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.73 177.34 42.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.377 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.59 128.41 21.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.73 0.3 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.724 HD11 ' CE1' ' A' ' 88' ' ' HIS . 14.3 mt -102.09 141.7 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.407 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 5.8 t-160 -133.61 112.48 11.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.828 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.32 149.15 42.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.2 p -142.27 126.34 17.35 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.854 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -136.88 168.6 19.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.307 0.575 . . . . 0.0 112.331 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.2 167.18 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.864 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -154.36 -64.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.183 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -178.04 -20.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -145.99 176.55 9.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.76 0.314 . . . . 0.0 110.522 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.657 ' HG2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.62 -21.55 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.316 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -90.41 -37.75 13.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.205 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.69 78.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.442 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.637 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -53.49 -36.7 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.433 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 78' ' ' ILE . 47.5 mm -77.89 -27.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -56.69 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.49 -34.06 86.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.412 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 81' ' ' LEU . 23.5 tp -73.06 -48.75 33.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.083 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 74' ' ' ILE . 1.6 tp -65.25 -19.33 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.291 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.63 -47.67 16.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.024 0.44 . . . . 0.0 110.014 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -64.87 -32.68 74.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.639 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -66.37 -50.93 61.86 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.222 179.8 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.27 -58.73 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -32.3 50.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.45 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -75.65 -46.74 29.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.082 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.777 HD13 ' HE1' ' A' ' 88' ' ' HIS . 3.4 mm? -57.0 -44.17 82.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -67.83 -39.47 83.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.776 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -54.56 -63.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.777 ' HE1' HD13 ' A' ' 85' ' ' LEU . 3.3 p-80 -67.88 -17.17 64.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 27.4 tttp -80.36 -16.28 54.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.025 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.0 110.487 179.578 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.549 HD11 HG23 ' A' ' 21' ' ' THR . 1.4 pt? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.692 0.282 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -142.26 159.44 42.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.977 0.417 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.523 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.1 pt -131.5 154.1 39.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.748 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.654 ' O ' HG13 ' A' ' 40' ' ' VAL . 1.5 m -134.88 118.89 17.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.229 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -102.03 123.35 7.85 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.784 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.5 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 8.5 p30 -100.71 110.31 22.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.609 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 65.56 39.29 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.688 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.544 HG21 ' CE ' ' A' ' 70' ' ' MET . 10.6 p -151.09 133.94 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.07 114.86 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.577 HD11 ' HA3' ' A' ' 7' ' ' GLY . 27.6 mm -76.07 94.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p -92.52 137.49 32.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.676 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.73 -32.55 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.959 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.89 -48.08 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.608 HD21 ' HG2' ' A' ' 70' ' ' MET . 0.2 OUTLIER -59.47 -62.5 1.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HB2' HD11 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -51.4 -40.55 59.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -61.61 -42.86 99.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CZ ' ' HE3' ' A' ' 23' ' ' LYS . 70.3 t80 -54.68 -46.43 74.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.66 -48.92 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.549 HG23 HD11 ' A' ' 3' ' ' LEU . 1.8 m -66.69 -30.13 70.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.684 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.65 89.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 46.7 mmtt -66.36 -51.51 56.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.531 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.849 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.9 m-85 -53.23 -45.06 68.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.62 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.97 -53.41 50.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -28.52 51.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.722 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD23 ' HE2' ' A' ' 31' ' ' PHE . 5.4 mp -81.94 -27.57 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.571 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.96 -13.92 40.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.658 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -68.91 -56.38 8.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.446 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.4 p90 -88.97 -21.49 23.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.423 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.591 ' HE2' HD23 ' A' ' 27' ' ' LEU . 19.3 m-30 -97.63 118.95 35.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 110.656 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -106.13 -26.28 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.028 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' CB ' HG13 ' A' ' 56' ' ' VAL . 20.7 mmt180 -75.4 64.38 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.409 HD11 ' CB ' ' A' ' 31' ' ' PHE . 25.3 mt -139.15 117.21 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -118.85 -58.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.06 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.49 117.07 21.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 111.035 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.849 HG11 ' CE1' ' A' ' 24' ' ' PHE . 5.9 t -121.89 134.1 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.0 135.53 47.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 110.78 179.425 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' A' ' 5' ' ' ILE . 16.1 t -128.32 146.74 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.252 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 6' ' ' THR . 20.4 t -146.62 130.31 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.77 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.836 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.54 132.99 44.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.807 -178.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.5 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 28.4 ttpt -103.08 137.62 41.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.201 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.491 HG13 ' CE1' ' A' ' 48' ' ' HIS . 21.7 t -115.84 117.16 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.257 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -136.74 152.51 50.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.484 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -53.34 -20.02 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.863 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -85.91 -84.57 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -129.56 154.22 47.27 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.951 0.405 . . . . 0.0 111.482 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.491 ' CE1' HG13 ' A' ' 43' ' ' VAL . 10.4 m170 -99.27 135.43 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.378 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.0 m -130.57 140.17 50.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.014 0.435 . . . . 0.0 111.494 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.475 ' O ' HD22 ' A' ' 77' ' ' LEU . 44.5 t -139.48 147.42 41.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.914 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.501 ' O ' HG13 ' A' ' 39' ' ' VAL . 34.4 p-10 -126.93 147.3 50.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.688 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.498 ' HB3' HD11 ' A' ' 81' ' ' LEU . . . -142.28 110.28 5.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.447 . . . . 0.0 111.633 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.43 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 36.4 m -108.57 111.42 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.806 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.713 HD13 ' CD2' ' A' ' 81' ' ' LEU . 7.1 mp -100.4 145.63 27.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.282 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -99.45 135.83 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.458 HG13 ' CB ' ' A' ' 33' ' ' ARG . 11.2 t -133.28 150.81 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -64.73 103.84 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.671 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.4 -19.63 39.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.88 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.2 168.92 34.72 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.765 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.91 130.88 26.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 0.0 110.704 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.47 140.05 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.251 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -133.24 112.19 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.575 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.81 153.63 46.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.345 . . . . 0.0 111.349 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 81.3 p -142.05 126.44 17.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -131.59 169.24 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.123 0.487 . . . . 0.0 112.161 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.96 163.17 33.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.225 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.35 -69.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.1 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -178.73 -21.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.484 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -146.47 176.49 9.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.827 0.346 . . . . 0.0 110.738 179.819 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.608 ' HG2' HD21 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -62.28 -21.84 65.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.338 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -90.96 -37.89 13.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.078 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.484 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -63.7 -48.61 76.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.265 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.51 -32.15 38.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.319 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.5 mm -79.35 -30.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -57.06 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.076 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.22 -37.88 91.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.552 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.89 ' O ' HD12 ' A' ' 81' ' ' LEU . 17.8 tp -67.8 -47.43 69.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.357 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.53 -15.02 18.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -52.95 9.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.003 0.43 . . . . 0.0 110.165 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -61.78 -38.45 88.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.849 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.89 HD12 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -60.8 -45.16 95.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.27 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.8 -62.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -51.79 -33.89 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.748 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -75.15 -44.22 48.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 111.068 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -59.61 -42.17 92.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.03 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -40.14 85.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -53.7 -64.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.296 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.457 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 3.1 p-80 -62.44 -30.27 71.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.436 ' HD2' ' CD1' ' A' ' 31' ' ' PHE . 13.5 mttp -69.69 -17.72 63.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.343 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.855 0.359 . . . . 0.0 110.619 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.716 HD11 HG23 ' A' ' 21' ' ' THR . 1.8 pt? . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.69 0.281 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -137.41 149.55 47.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.2 mt -119.35 151.29 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.521 ' HB ' HG22 ' A' ' 40' ' ' VAL . 37.5 m -118.36 119.24 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.9 109.81 3.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.619 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -116.94 109.27 16.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.741 0.305 . . . . 0.0 110.473 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.4 t30 58.81 31.05 20.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.641 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.755 HG21 ' CE ' ' A' ' 70' ' ' MET . 9.2 p -151.6 135.75 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -83.64 115.67 22.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.2 mm -70.11 109.43 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 p -104.69 137.34 42.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -34.79 -43.8 0.19 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.239 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.29 -47.58 83.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.561 HD11 ' HG2' ' A' ' 70' ' ' MET . 0.1 OUTLIER -58.91 -64.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -52.98 -43.83 66.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -56.84 -46.03 81.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -57.4 -44.54 84.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.7 -58.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.716 HG23 HD11 ' A' ' 3' ' ' LEU . 21.2 m -59.17 -30.23 68.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.78 87.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.605 ' HB3' HG21 ' A' ' 78' ' ' ILE . 13.2 mmtt -69.86 -49.0 56.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.683 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -51.74 -49.76 61.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.04 -51.22 62.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -29.72 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.961 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.601 HD23 ' CE2' ' A' ' 31' ' ' PHE . 4.8 mp -77.12 -31.29 55.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 110.564 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HG2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -61.1 -14.38 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.413 179.665 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -72.05 -58.4 3.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.695 0.283 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.3 p90 -86.93 -22.99 25.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.462 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.601 ' CE2' HD23 ' A' ' 27' ' ' LEU . 20.9 m-30 -98.93 118.9 36.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.358 . . . . 0.0 110.659 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.21 4.21 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.485 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -106.92 65.75 0.67 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.935 0.398 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.404 HD12 ' HG2' ' A' ' 28' ' ' GLU . 24.5 mt -138.94 108.42 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -108.49 -56.67 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.992 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -129.6 124.69 34.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -132.7 136.9 55.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.851 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -133.19 143.98 49.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 51' ' ' ASP . 18.6 t -135.9 144.81 32.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.306 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.521 HG22 ' HB ' ' A' ' 6' ' ' THR . 18.3 t -139.11 132.39 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.791 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.855 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.31 126.53 35.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.912 -178.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 31.0 ttpt -105.78 145.63 30.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.278 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.585 HG13 ' CE1' ' A' ' 48' ' ' HIS . 21.7 t -123.42 107.58 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.253 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 47' ' ' THR . 5.9 pt-20 -125.08 152.61 44.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -17.79 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.958 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -85.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 5.6 m -129.04 150.52 50.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.895 0.378 . . . . 0.0 111.513 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.585 ' CE1' HG13 ' A' ' 43' ' ' VAL . 24.0 m-70 -88.06 137.82 32.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.486 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.0 m -125.34 132.01 52.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 111.711 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.786 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 33.3 p -137.07 138.09 40.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.435 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.561 ' O ' HG13 ' A' ' 39' ' ' VAL . 54.2 p-10 -128.02 151.3 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.969 0.414 . . . . 0.0 111.321 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.943 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -138.81 140.27 38.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.937 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.9 109.17 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.498 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.624 HD11 ' HG ' ' A' ' 81' ' ' LEU . 2.0 mp -102.76 145.46 29.69 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.882 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.14 136.47 43.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.953 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.678 HG11 ' CE1' ' A' ' 88' ' ' HIS . 28.5 m -139.9 159.65 26.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.77 103.77 3.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.52 -21.35 7.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.76 -173.45 42.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -140.32 133.02 28.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.802 0.334 . . . . 0.0 110.813 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.657 HD11 ' ND1' ' A' ' 88' ' ' HIS . 3.7 mt -101.99 137.28 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.945 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -133.67 111.96 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.535 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . . . -121.18 156.57 32.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.007 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.81 147.73 39.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.084 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -149.23 169.38 20.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.114 0.483 . . . . 0.0 111.664 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.75 161.08 38.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.288 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA3' ' HB3' ' A' ' 72' ' ' ALA . . . -159.81 170.66 36.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.806 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -65.15 -12.0 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -156.85 176.37 12.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.656 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.755 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -64.52 -16.02 61.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.366 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -88.93 -40.44 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -62.38 -46.58 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.786 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -53.17 -39.36 63.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.367 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mm -71.67 -31.8 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -65.22 -56.97 9.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.89 -30.18 75.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.402 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.871 ' O ' HD13 ' A' ' 81' ' ' LEU . 17.2 tp -72.26 -49.61 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.605 HG21 ' HB3' ' A' ' 23' ' ' LYS . 34.7 mm -67.37 -17.07 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.96 -53.07 9.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.041 0.448 . . . . 0.0 109.849 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -59.55 -38.04 80.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.635 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.943 HD21 ' HB1' ' A' ' 52' ' ' ALA . 10.8 mp -58.39 -52.44 65.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.9 -60.15 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -34.52 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -74.4 -46.5 39.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.725 HD13 ' HE1' ' A' ' 88' ' ' HIS . 3.1 mm? -57.61 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.8 m -61.88 -44.83 96.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -64.46 0.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.496 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.725 ' HE1' HD13 ' A' ' 85' ' ' LEU . 2.0 p-80 -65.58 -28.06 68.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -21.3 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.7 t70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 179.876 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.03 0.443 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -131.21 150.83 51.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.277 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.3 mt -109.78 144.44 17.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.971 0.415 . . . . 0.0 111.657 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -140.97 118.74 11.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.808 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.56 151.3 17.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.445 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -125.19 109.1 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 68.68 36.35 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.821 HG21 ' CE ' ' A' ' 70' ' ' MET . 13.1 p -152.88 139.6 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.017 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.85 122.31 33.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 111.21 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.4 mm -74.34 117.55 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -110.25 137.12 48.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -34.73 -44.53 0.22 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.193 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.74 -47.58 71.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.543 HD11 ' HG2' ' A' ' 70' ' ' MET . 1.3 tp -55.92 -67.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.731 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -39.26 9.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.597 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.72 -46.36 84.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.606 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -56.52 -46.69 80.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 t -60.09 -52.62 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.72 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 m -61.46 -30.96 70.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.606 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.8 82.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.813 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.5 mmtt -60.18 -59.83 4.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.655 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.677 ' CE1' HG11 ' A' ' 37' ' ' VAL . 11.4 m-85 -52.74 -42.84 65.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.41 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.64 -54.62 25.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.588 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -29.65 49.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.525 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 4.4 mp -79.02 -26.33 43.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.469 ' HG2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -67.3 -14.77 63.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.105 179.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -73.03 -61.02 1.96 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 1.8 p90 -80.93 -26.86 36.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.503 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 85' ' ' LEU . 3.5 m-85 -117.27 119.91 36.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 111.258 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.96 1.45 22.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.412 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -82.1 59.49 4.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.484 HG23 ' CG2' ' A' ' 37' ' ' VAL . 17.3 mt -133.97 112.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.06 -59.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -125.56 116.97 22.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.803 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.677 HG11 ' CE1' ' A' ' 24' ' ' PHE . 21.4 t -128.68 134.56 64.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -130.63 141.36 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.555 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 51' ' ' ASP . 15.4 t -135.82 144.23 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.536 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.495 ' C ' HD13 ' A' ' 41' ' ' LEU . 17.5 t -137.57 133.92 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.803 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.848 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.27 123.66 28.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.454 -0.793 . . . . 0.0 111.786 -178.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -100.73 142.4 32.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.335 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.15 105.74 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.399 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 47' ' ' THR . 6.9 pt-20 -123.96 152.37 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.542 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -52.66 -21.44 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.821 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.427 HG12 ' OG1' ' A' ' 47' ' ' THR . 48.8 t -84.67 -84.82 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.427 ' OG1' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -129.26 151.69 49.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.913 0.387 . . . . 0.0 111.309 -179.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 6.3 m170 -93.87 131.25 39.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.297 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.9 m -120.61 140.66 51.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.986 0.422 . . . . 0.0 111.774 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.483 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 19.8 p -138.66 143.15 39.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.509 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.613 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.5 p30 -128.69 147.03 50.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.932 0.396 . . . . 0.0 111.32 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.892 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -134.47 141.05 46.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.086 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.76 105.26 4.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.662 HD12 HD12 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -98.55 143.24 29.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.54 117.08 29.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 60' ' ' GLU . 1.9 t -90.3 168.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.519 ' H ' HG12 ' A' ' 56' ' ' VAL . 4.5 m120 -47.65 -56.27 7.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.4 -48.53 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.571 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.29 -171.04 34.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.721 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.521 ' HA ' HG23 ' A' ' 56' ' ' VAL . 67.7 mt-10 -141.3 138.01 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.688 0.28 . . . . 0.0 110.844 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.811 HD11 ' CE1' ' A' ' 88' ' ' HIS . 3.2 mt -101.15 134.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -134.32 112.19 10.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.64 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.718 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -136.76 165.65 25.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 111.084 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 2.0 p -140.68 153.56 46.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -142.23 156.88 45.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.944 0.402 . . . . 0.0 111.411 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -130.95 157.49 42.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.52 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.52 172.68 37.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.768 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.76 -12.62 25.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.442 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 6.0 p-10 -157.98 176.15 12.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.623 0.249 . . . . 0.0 110.558 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.821 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -59.61 -52.53 65.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.823 0.344 . . . . 0.0 110.819 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -55.93 -41.94 75.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.58 73.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 50' ' ' SER . . . -49.81 -31.06 10.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.23 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 mm -74.81 -37.97 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.687 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.61 -56.79 16.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.24 -28.72 73.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.206 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.892 HD11 ' HB3' ' A' ' 52' ' ' ALA . 12.2 tp -67.19 -42.65 83.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.05 0.452 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.8 mm -79.7 -16.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.962 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.61 -60.47 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.528 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -64.2 -33.97 77.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.672 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.883 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -60.23 -49.61 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.97 71.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.746 0.307 . . . . 0.0 110.685 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -42.42 48.46 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.068 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -70.69 -38.24 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.035 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.5 mm? -58.39 -42.89 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.693 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -41.57 96.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.233 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -57.15 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.237 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.811 ' CE1' HD11 ' A' ' 61' ' ' ILE . 3.1 p-80 -74.35 -25.29 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.538 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.447 ' CE ' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -69.71 -19.42 63.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.484 -179.516 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 110.437 179.597 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.841 0.353 . . . . 0.0 110.76 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -134.45 141.0 46.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.025 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mt -117.23 151.11 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.776 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.668 ' HB ' HG13 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -119.18 118.97 32.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.318 179.589 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.54 110.89 4.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.923 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -111.68 109.05 18.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.207 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 t30 64.39 32.66 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.41 . . . . 0.0 110.432 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.732 HG11 ' HE1' ' A' ' 70' ' ' MET . 21.8 t -151.56 136.03 9.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.005 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -84.22 118.09 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -65.98 103.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -100.21 132.8 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -36.45 -39.46 0.2 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.2 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 18' ' ' GLU . . . -67.55 -47.25 70.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 111.211 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.648 HD21 ' HG2' ' A' ' 70' ' ' MET . 0.3 OUTLIER -64.0 -50.71 67.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.303 -179.7 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -46.17 82.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.62 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -62.48 -37.97 88.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.624 0.249 . . . . 0.0 110.691 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 80.1 t80 -57.58 -46.72 83.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.823 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 16' ' ' LEU . 20.0 t -59.59 -48.85 85.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.724 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 m -64.39 -30.19 71.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.611 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -55.57 -45.29 77.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HB3' HG21 ' A' ' 78' ' ' ILE . 5.7 mttt -69.31 -47.57 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.64 ' HE1' HG11 ' A' ' 37' ' ' VAL . 2.3 m-85 -53.11 -48.61 67.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.87 -51.5 60.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.732 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -29.85 29.47 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.466 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -77.49 -32.06 53.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.976 0.417 . . . . 0.0 110.463 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -14.92 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.834 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.6 -55.23 9.3 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.671 0.272 . . . . 0.0 110.885 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.466 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -99.76 2.34 44.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.834 -179.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 86' ' ' THR . 20.8 m-85 -124.79 118.12 25.67 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.896 0.379 . . . . 0.0 110.72 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -108.7 -28.8 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -68.51 70.11 0.17 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.12 116.12 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.09 -61.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -128.6 125.29 37.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.77 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.64 HG11 ' HE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -125.27 136.11 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.472 -179.697 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.82 132.44 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 51' ' ' ASP . 19.9 t -126.57 146.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.281 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.668 HG13 ' HB ' ' A' ' 6' ' ' THR . 20.2 t -144.13 132.64 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.548 . . . . 0.0 111.418 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.853 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.48 126.12 34.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.362 -179.342 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -108.29 147.42 31.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.623 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.647 HG23 HG21 ' A' ' 10' ' ' VAL . 50.1 t -125.72 108.65 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 47' ' ' THR . 6.4 pt-20 -124.83 153.07 43.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.616 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -17.25 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.933 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -85.59 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.413 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -129.13 150.93 50.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.852 0.358 . . . . 0.0 111.518 -179.579 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -87.83 141.39 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.493 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -129.92 129.95 44.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.866 0.365 . . . . 0.0 111.703 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.626 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 96.9 p -135.26 137.59 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.296 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.495 ' O ' HG13 ' A' ' 39' ' ' VAL . 2.9 p30 -129.16 151.77 49.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.056 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.644 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -146.22 110.12 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.017 0.437 . . . . 0.0 111.211 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.418 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.5 m -106.67 112.31 25.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.044 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.668 HD13 ' CD2' ' A' ' 81' ' ' LEU . 7.7 mp -100.7 145.67 28.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -95.99 129.37 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' ' 57' ' ' ASN . 2.2 t -110.41 168.66 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.541 ' H ' HG12 ' A' ' 56' ' ' VAL . 19.4 m120 -45.41 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.385 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.13 27.98 9.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.391 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.33 171.37 37.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.419 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -140.26 128.92 23.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 88' ' ' HIS . 10.8 mt -103.83 139.8 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -133.01 112.48 11.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.772 ' HB1' ' HD2' ' A' ' 80' ' ' LYS . . . -117.59 151.18 37.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.928 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.42 119.24 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.224 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.869 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -124.53 170.79 10.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.967 0.413 . . . . 0.0 111.721 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.31 161.36 37.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.474 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.58 169.89 35.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.718 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -64.38 -13.54 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.371 0.137 . . . . 0.0 111.371 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -153.46 176.15 12.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.732 ' HE1' HG11 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -65.57 -16.85 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.444 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -90.48 -37.88 13.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.89 80.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.626 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -54.01 -36.5 63.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.285 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.3 mm -75.58 -27.81 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -55.94 11.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.51 -27.47 72.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.341 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.906 ' O ' HD12 ' A' ' 81' ' ' LEU . 3.8 tt -74.71 -52.14 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.531 ' N ' HD23 ' A' ' 77' ' ' LEU . 22.7 mm -70.19 -15.2 18.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.895 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -53.0 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.436 . . . . 0.0 110.228 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.772 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 2.3 ptpt -62.48 -35.09 78.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.771 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.906 HD12 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -63.93 -48.9 74.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.215 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.08 -60.66 3.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.233 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -52.69 -33.68 48.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.777 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -46.1 35.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.358 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.742 HD13 ' HE1' ' A' ' 88' ' ' HIS . 2.3 mm? -58.97 -43.49 91.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.692 HG23 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -64.83 -40.34 95.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.006 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -62.05 1.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.564 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.742 ' HE1' HD13 ' A' ' 85' ' ' LEU . 2.7 p-80 -67.19 -38.29 85.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.551 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.461 ' N ' ' CD2' ' A' ' 88' ' ' HIS . 3.3 tmtm? -62.25 -19.22 62.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.631 0.253 . . . . 0.0 111.303 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.393 . . . . 0.0 110.771 179.749 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.91 0.386 . . . . 0.0 110.765 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -141.72 159.62 41.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.474 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -128.52 154.04 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.762 179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.806 ' O ' HG13 ' A' ' 40' ' ' VAL . 20.5 m -141.65 118.9 11.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.124 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.404 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -100.99 131.71 10.67 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.818 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 8' ' ' ASN . 2.4 p30 -108.7 116.18 31.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 110.568 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 68.89 33.42 3.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.773 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.916 HG21 ' CE ' ' A' ' 70' ' ' MET . 13.1 p -152.06 135.94 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.9 120.48 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.404 HD11 ' HA3' ' A' ' 7' ' ' GLY . 21.9 mm -82.75 94.17 3.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.016 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.0 p -98.38 147.1 25.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.77 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -39.09 -33.4 0.13 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.876 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -47.08 73.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.061 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.924 HD11 ' HG2' ' A' ' 70' ' ' MET . 2.2 tp -56.98 -66.76 0.4 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 -47.19 -40.03 15.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.806 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.24 -52.06 65.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.547 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 45.2 t80 -49.28 -49.65 42.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.134 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 t -60.53 -51.21 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.421 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -62.11 -23.65 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.605 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -53.99 -45.97 71.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.791 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' HD13 ' A' ' 27' ' ' LEU . 32.4 mmtt -76.29 -46.46 27.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.894 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.693 ' CE2' HG11 ' A' ' 37' ' ' VAL . 4.5 m-85 -56.95 -13.34 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.211 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 -49.52 9.41 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.012 0.434 . . . . 0.0 109.92 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -15.63 62.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.117 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.582 HD23 ' HE2' ' A' ' 31' ' ' PHE . 6.0 mp -87.85 -42.83 12.27 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.779 0.323 . . . . 0.0 110.667 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.08 -15.48 9.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.312 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.55 -53.4 16.23 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.746 0.307 . . . . 0.0 110.844 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.493 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 3.1 p90 -95.83 2.29 53.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.574 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.701 ' HB3' HD11 ' A' ' 34' ' ' ILE . 10.9 m-30 -115.04 118.87 34.61 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.758 0.313 . . . . 0.0 110.461 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.27 -29.86 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.001 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.1 mtt-85 -77.38 64.04 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.701 HD11 ' HB3' ' A' ' 31' ' ' PHE . 30.3 mt -136.51 124.06 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -124.96 -61.75 1.28 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.169 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -129.56 116.89 19.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.216 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.693 HG11 ' CE2' ' A' ' 24' ' ' PHE . 3.6 t -122.7 135.47 62.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.755 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.471 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -130.11 127.56 40.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.025 0.441 . . . . 0.0 111.165 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.3 t -122.46 146.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.002 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 6' ' ' THR . 24.6 t -144.52 134.63 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.219 0.533 . . . . 0.0 110.755 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.841 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.16 131.69 44.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.604 -179.01 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -106.7 136.45 46.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.578 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.706 HG13 ' CE1' ' A' ' 48' ' ' HIS . 21.9 t -117.47 117.5 55.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.052 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -136.31 152.69 50.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -51.9 -20.6 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.01 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.59 -84.93 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 m -129.18 154.53 46.67 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.016 0.436 . . . . 0.0 111.469 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.706 ' CE1' HG13 ' A' ' 43' ' ' VAL . 11.5 m-70 -98.89 136.46 38.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.452 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.8 m -129.56 139.24 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 111.467 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.7 p -133.25 147.38 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.759 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.714 ' O ' HG13 ' A' ' 39' ' ' VAL . 1.6 p30 -129.89 148.27 51.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.603 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.692 ' HB2' HD11 ' A' ' 77' ' ' LEU . . . -141.04 114.01 8.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.937 0.399 . . . . 0.0 111.628 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.434 HG23 ' CG ' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -109.23 107.61 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.692 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 81' ' ' LEU . 8.5 mp -100.71 146.36 27.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 111.439 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -106.69 134.72 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.901 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 m -141.46 117.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.24 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.5 m120 40.61 -95.02 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.773 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.78 31.85 4.63 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.571 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.29 155.69 23.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.19 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -134.98 117.72 16.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 111.193 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -102.37 138.38 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.429 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.434 ' CG ' HG23 ' A' ' 53' ' ' THR . 5.2 t-160 -133.59 112.21 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.331 . . . . 0.0 111.04 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.881 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -124.69 155.28 39.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.863 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -140.83 123.9 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.652 ' HB2' ' HE2' ' A' ' 80' ' ' LYS . . . -121.37 153.05 38.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.113 0.482 . . . . 0.0 111.987 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -130.86 157.43 42.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.033 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.96 -67.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.067 -1.063 . . . . 0.0 113.169 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -177.47 -24.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.639 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 4.0 p30 -147.77 176.6 9.99 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.924 ' HG2' HD11 ' A' ' 16' ' ' LEU . 7.4 tpp -53.6 -56.32 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.788 0.328 . . . . 0.0 111.21 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -59.21 -38.12 79.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.243 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.639 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -60.65 -53.04 62.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.388 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.62 -31.68 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.4 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.9 mm -78.72 -23.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.231 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -52.22 12.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.873 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.82 -37.01 88.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.239 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -68.01 -41.91 81.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.054 0.454 . . . . 0.0 110.625 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.584 ' N ' HD23 ' A' ' 77' ' ' LEU . 23.2 mm -76.47 -15.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.078 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.12 -53.38 7.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.652 ' HE2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -73.74 -25.46 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.953 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.881 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -70.45 -50.6 36.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.837 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.11 61.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -54.38 -34.53 61.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.438 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -76.54 -46.25 27.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.028 0.442 . . . . 0.0 110.729 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.51 HD13 ' HE1' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -56.52 -44.32 80.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.912 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -37.06 82.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -62.2 1.77 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.51 ' HE1' HD13 ' A' ' 85' ' ' LEU . 3.7 p-80 -62.84 -29.35 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 1.1 tttt -68.89 -16.86 63.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.248 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 120.769 0.319 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.725 0.298 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -141.16 158.01 44.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.584 HG22 ' HB ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -132.89 154.15 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.478 ' O ' HG13 ' A' ' 40' ' ' VAL . 20.3 m -140.56 118.95 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.987 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.64 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -99.02 133.66 11.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.061 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' HB2' ' A' ' 42' ' ' LYS . 11.6 p30 -107.51 116.84 32.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.693 0.282 . . . . 0.0 110.378 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.1 t30 62.02 37.62 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.575 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.551 HG11 HD23 ' A' ' 41' ' ' LEU . 9.4 p -151.37 133.33 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.965 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.72 118.42 15.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.809 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.64 HD11 ' HA3' ' A' ' 7' ' ' GLY . 26.1 mm -82.95 94.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -96.04 143.91 26.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -38.23 -33.93 0.11 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.042 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.24 -46.87 72.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.203 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -57.29 -66.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -48.89 -40.07 28.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.02 -51.65 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -49.67 -48.55 49.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.8 -53.41 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.7 m -60.06 -30.64 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.83 88.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' O ' HD13 ' A' ' 27' ' ' LEU . 15.5 mmtt -65.39 -55.8 16.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.612 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.862 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 6.1 m-85 -48.1 -46.19 33.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.21 -55.63 17.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -26.52 53.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 10.8 mp -82.89 -26.04 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 110.829 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -13.17 35.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -72.6 -50.42 25.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.628 0.252 . . . . 0.0 111.331 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -98.59 -25.53 14.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.757 -179.509 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CD2' HD22 ' A' ' 85' ' ' LEU . 20.5 m-30 -95.56 117.8 31.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.43 -7.29 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.48 47.97 1.49 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.81 0.338 . . . . 0.0 111.268 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' A' ' 31' ' ' PHE . 6.1 mt -133.85 107.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.737 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.65 -54.24 2.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.97 116.51 21.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.862 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 2.7 t -126.69 134.35 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.476 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -128.88 127.3 41.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.581 179.423 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.4 t -122.05 145.88 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.422 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 6' ' ' THR . 24.0 t -140.47 134.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.621 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.36 128.53 39.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.799 -178.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.453 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 4.3 ttpt -101.38 128.6 47.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.174 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.414 HG21 ' CG2' ' A' ' 10' ' ' VAL . 38.5 t -113.05 110.44 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.512 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 47' ' ' THR . 10.2 pt-20 -133.33 152.41 51.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.459 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -53.51 -20.57 5.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.893 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.16 -84.98 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 31.1 m -129.06 153.76 47.32 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.816 0.341 . . . . 0.0 111.314 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 5.3 m-70 -102.33 133.87 46.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.733 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -124.32 141.75 51.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.147 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.811 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 34.0 p -138.43 147.06 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.666 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.4 p30 -135.74 146.91 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.72 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.722 ' CB ' HD21 ' A' ' 77' ' ' LEU . . . -145.14 110.6 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 111.752 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.416 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.3 m -104.2 114.08 28.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.714 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.806 ' CD2' HD11 ' A' ' 85' ' ' LEU . 9.2 mp -99.49 145.65 27.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.0 0.429 . . . . 0.0 111.217 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -91.33 125.15 36.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.96 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 60' ' ' GLU . 2.1 t -103.55 168.78 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.539 ' H ' HG12 ' A' ' 56' ' ' VAL . 20.0 m-20 -46.33 -62.27 1.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.482 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.59 -53.4 1.06 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.801 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.59 -167.28 31.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.719 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.551 ' HA ' HG23 ' A' ' 56' ' ' VAL . 63.0 mt-10 -140.68 135.21 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.7 0.286 . . . . 0.0 110.668 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.3 mt -101.52 140.45 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.038 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.402 ' CB ' HG23 ' A' ' 53' ' ' THR . 7.8 t-160 -132.98 112.31 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.715 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -125.26 154.18 42.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -140.68 149.63 42.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.61 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.834 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -145.46 163.68 33.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 111.235 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -135.93 158.84 43.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.779 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.26 169.54 34.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.67 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -53.22 -18.26 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.419 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 3.9 p-10 -153.25 173.81 15.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.723 0.297 . . . . 0.0 110.651 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -58.0 -53.99 52.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.813 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.725 ' CE1' HD22 ' A' ' 16' ' ' LEU . 41.0 m-85 -56.43 -40.06 74.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.01 71.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.811 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -51.11 -31.81 20.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.205 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 78' ' ' ILE . 43.6 mm -75.45 -33.41 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.465 ' O ' HG22 ' A' ' 78' ' ' ILE . 7.7 t0 -64.88 -57.08 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.24 93.67 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.834 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 8.6 tt -69.59 -41.62 75.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.821 0.343 . . . . 0.0 111.326 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -71.95 -20.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.553 -179.66 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -79.72 -50.42 10.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -68.52 -33.45 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.788 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.773 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -65.17 -47.9 75.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.406 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -57.22 -55.8 30.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.878 0.37 . . . . 0.0 110.763 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -52.62 -31.99 39.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -40.16 69.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.017 0.437 . . . . 0.0 110.605 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.806 HD11 ' CD2' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -59.64 -40.22 86.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.741 179.677 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -66.94 -39.37 87.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.688 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.273 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.449 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 8.3 p-80 -64.28 -26.4 68.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.239 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -14.82 60.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.558 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 t0 . . . . . 0 C--N 1.332 -0.188 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 3' ' ' LEU . 2.6 pt? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.748 0.309 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -141.15 159.12 42.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.6 mt -124.26 153.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.835 ' O ' HG13 ' A' ' 40' ' ' VAL . 51.2 m -139.3 121.48 15.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.238 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.31 124.41 7.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.09 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.1 p30 -94.02 115.28 27.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 1.1 t30 86.53 -43.96 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.252 -178.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.592 HG22 ' N ' ' A' ' 11' ' ' GLU . 15.0 p -95.54 169.44 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.687 -179.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.592 ' N ' HG22 ' A' ' 10' ' ' VAL . 1.3 pm0 -110.5 147.67 33.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.846 0.355 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.8 mm -76.39 101.6 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.717 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 p -93.54 140.0 30.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -36.29 -37.82 0.13 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.171 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -68.98 -47.29 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.3 tp -62.29 -46.65 87.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.254 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -70.03 -44.36 69.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.485 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 10.5 pt-20 -63.79 -47.67 79.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.734 0.302 . . . . 0.0 110.849 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -54.39 -47.74 72.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 16' ' ' LEU . 39.6 t -60.81 -48.03 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 m -65.44 -34.23 77.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.409 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.27 -43.82 79.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.784 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HB3' HG12 ' A' ' 78' ' ' ILE . 13.5 mmtt -65.05 -52.14 57.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.303 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.711 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 5.7 m-85 -49.76 -42.45 46.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.696 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.52 -50.52 62.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.954 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -28.78 67.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.692 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.572 HD21 ' HB2' ' A' ' 82' ' ' ALA . 9.3 mp -82.68 -22.02 34.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.937 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -66.78 -12.43 58.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.677 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -68.07 -45.94 72.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.67 0.272 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.508 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -107.75 2.29 23.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.84 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.487 ' HB3' HD11 ' A' ' 34' ' ' ILE . 18.2 m-30 -111.88 118.57 35.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.51 -31.03 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -77.78 76.66 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.487 HD11 ' HB3' ' A' ' 31' ' ' PHE . 28.9 mt -144.14 114.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.49 -62.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.125 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.09 116.9 21.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 111.127 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.711 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 13.9 t -125.53 134.28 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.65 142.92 49.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 0.0 110.837 179.683 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 51' ' ' ASP . 8.2 t -134.19 146.52 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.15 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 6' ' ' THR . 22.3 t -141.58 135.56 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.142 0.496 . . . . 0.0 111.062 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.85 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.35 128.08 38.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.741 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -101.93 136.57 41.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.416 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.423 HG21 ' HE1' ' A' ' 70' ' ' MET . 21.5 t -117.98 109.99 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.175 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -130.16 152.75 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -20.38 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.892 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.7 t -86.48 -85.93 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.9 m -129.11 154.21 46.92 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.998 0.428 . . . . 0.0 111.379 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -97.0 134.18 40.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.533 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 m -123.96 141.48 52.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.917 0.389 . . . . 0.0 111.287 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.586 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 27.1 p -138.31 147.28 43.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.948 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.689 ' O ' HG13 ' A' ' 39' ' ' VAL . 11.8 p30 -131.67 148.95 52.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.782 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.779 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -142.17 110.33 5.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.914 0.387 . . . . 0.0 111.501 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.408 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.2 m -108.74 109.31 20.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.56 HD13 HD12 ' A' ' 81' ' ' LEU . 9.1 mp -98.37 145.95 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.194 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -99.18 126.7 45.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.85 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 57' ' ' ASN . 2.5 t -103.94 166.41 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.492 ' H ' HG12 ' A' ' 56' ' ' VAL . 5.9 m-20 -47.0 -67.07 0.31 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.231 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.99 27.1 8.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.417 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -162.22 172.9 38.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -138.46 124.91 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mt -102.49 139.48 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.649 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -133.24 112.18 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.25 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.741 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -121.13 153.12 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.604 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.2 p -140.9 120.88 13.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.759 0.314 . . . . 0.0 110.749 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -117.53 163.71 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.156 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.23 157.9 45.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.15 164.47 31.9 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.673 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -59.51 -17.2 29.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.579 0.228 . . . . 0.0 111.504 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.444 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 3.9 p-10 -151.46 176.43 11.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 110.691 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.423 ' HE1' HG21 ' A' ' 43' ' ' VAL . 2.2 tpp -57.81 -56.5 21.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -56.16 -36.81 68.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.984 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.444 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -62.39 -49.2 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 110.987 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 50' ' ' SER . . . -52.66 -32.86 44.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.264 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 78' ' ' ILE . 47.4 mm -78.0 -28.79 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -55.65 14.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.83 -33.17 74.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.889 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 48.2 tp -73.56 -34.61 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 111.189 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 74' ' ' ILE . 2.6 tp -82.44 -16.61 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.5 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.05 -49.41 8.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.903 0.383 . . . . 0.0 110.34 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -69.54 -33.45 72.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.472 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.741 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -67.37 -50.58 59.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.013 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.48 -52.32 65.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 110.918 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -55.41 -33.61 63.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.309 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -76.29 -48.77 18.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 81' ' ' LEU . 3.4 mm? -57.12 -40.19 76.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.746 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -69.47 -38.52 77.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.0 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -53.12 -63.52 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.992 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.544 ' HE1' HD13 ' A' ' 85' ' ' LEU . 10.9 p-80 -64.56 -26.74 68.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -18.44 63.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.366 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.912 0.387 . . . . 0.0 111.035 179.926 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 3' ' ' LEU . 2.6 pt? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -133.08 146.0 51.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.3 mt -106.16 142.47 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.988 0.423 . . . . 0.0 111.395 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.593 ' O ' HG13 ' A' ' 40' ' ' VAL . 2.2 m -149.04 118.23 6.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.69 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.62 168.47 12.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.231 -0.985 . . . . 0.0 113.566 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.95 109.14 12.62 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 69.27 42.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.949 0.404 . . . . 0.0 110.202 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.534 HG21 ' CD2' ' A' ' 41' ' ' LEU . 2.8 m -150.46 133.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.456 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.13 118.42 24.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.486 HD13 HD23 ' A' ' 16' ' ' LEU . 18.6 mm -82.36 103.37 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -104.29 155.32 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -33.52 -52.91 0.41 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.259 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.82 84.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.323 . . . . 0.0 111.066 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 20' ' ' VAL . 4.6 tp -56.08 -51.68 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.724 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 1.2 ptt85 -66.92 -41.49 86.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.754 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 6.2 mt-10 -64.33 -56.7 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.731 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.84 -49.85 57.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.708 -0.223 . . . . 0.0 111.535 -179.084 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 16' ' ' LEU . 18.1 t -58.49 -45.62 90.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 0.0 110.646 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.4 HG23 HD11 ' A' ' 3' ' ' LEU . 12.3 m -68.75 -29.66 68.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.787 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.16 87.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB3' HG21 ' A' ' 78' ' ' ILE . 8.4 mttt -67.11 -51.63 51.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.479 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.613 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.3 m-85 -52.94 -45.64 67.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.48 -51.74 61.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -29.68 58.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 23' ' ' LYS . 9.1 mp -80.77 -26.37 37.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -13.75 52.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.672 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -67.93 -58.5 4.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.805 0.336 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.486 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -89.65 2.37 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.468 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 19.2 m-30 -116.71 119.18 34.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.339 . . . . 0.0 110.734 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -107.9 -23.24 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -84.14 76.3 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.07 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.9 mt -144.02 117.12 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -121.23 -58.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.317 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -127.0 116.88 21.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.613 HG11 ' CE1' ' A' ' 24' ' ' PHE . 2.3 t -123.23 134.36 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.47 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.32 139.65 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -135.58 144.59 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.131 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 6' ' ' THR . 17.6 t -142.52 136.13 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 111.081 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.868 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.51 129.19 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.845 -179.099 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -106.74 143.08 35.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.468 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -122.3 110.8 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 47' ' ' THR . 5.5 pt-20 -128.66 152.51 48.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.574 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.81 -20.69 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.114 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.413 HG12 ' OG1' ' A' ' 47' ' ' THR . 45.7 t -87.33 -84.39 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.413 ' OG1' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -129.9 152.95 48.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.864 0.364 . . . . 0.0 111.588 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 8.0 m170 -93.36 137.14 32.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.285 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -125.34 133.63 52.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.983 0.42 . . . . 0.0 111.661 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.7 p -133.87 140.7 47.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.209 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 38.2 p-10 -127.06 141.59 51.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 111.336 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.679 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -128.57 137.88 51.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.926 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.402 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 2.0 m -140.33 107.54 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.454 ' HG ' HG13 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -101.41 145.48 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -101.09 134.65 43.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.433 HG21 HD11 ' A' ' 61' ' ' ILE . 29.3 t -130.65 153.16 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.983 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -64.46 102.59 0.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.965 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.98 -16.76 58.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.971 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.46 163.38 29.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.723 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.56 132.42 27.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 110.777 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.467 HD11 ' CE1' ' A' ' 88' ' ' HIS . 2.4 mp -101.67 136.24 34.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.04 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -134.61 112.12 10.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.807 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -127.73 162.83 25.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 111.126 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -140.82 117.17 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.339 179.687 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -112.86 156.97 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 111.345 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -130.25 156.71 44.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.621 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.84 167.63 33.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.554 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -65.56 -13.23 58.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.572 0.225 . . . . 0.0 111.497 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.444 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 3.5 p-10 -154.95 176.16 12.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.737 0.303 . . . . 0.0 110.796 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.2 ttp -59.65 -58.02 10.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -55.36 -41.95 73.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.39 -50.65 72.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.029 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.25 -34.21 31.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.461 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 34.5 mm -76.48 -30.13 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -56.62 18.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.252 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.33 -24.15 77.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.298 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 52' ' ' ALA . 12.6 tp -72.37 -45.19 60.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.407 . . . . 0.0 110.59 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.613 HG21 ' HB3' ' A' ' 23' ' ' LYS . 48.5 mm -79.59 -15.83 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.049 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.18 -57.62 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.453 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -64.59 -33.15 75.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.24 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.807 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -64.49 -46.35 83.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.838 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.99 -58.09 9.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.98 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -51.95 -32.88 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.191 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -75.96 -45.46 34.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.987 0.423 . . . . 0.0 110.834 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.488 HD13 ' HE1' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -59.91 -42.26 93.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.724 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -67.04 -40.17 87.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -64.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.021 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.488 ' HE1' HD13 ' A' ' 85' ' ' LEU . 3.7 p-80 -61.73 -37.44 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.616 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -63.93 -17.41 63.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.81 0.338 . . . . 0.0 110.648 179.787 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.495 ' HA ' HG23 ' A' ' 37' ' ' VAL . 1.8 pt? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.926 0.393 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -132.7 142.11 48.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.448 HG22 ' HB ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -124.9 153.25 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 111.352 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.635 ' O ' HG13 ' A' ' 40' ' ' VAL . 9.4 m -142.22 118.81 11.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.108 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.792 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -100.3 121.18 7.14 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.938 -179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.518 ' OD1' ' HB2' ' A' ' 42' ' ' LYS . 6.5 p30 -98.15 114.33 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.696 0.284 . . . . 0.0 110.47 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 65.5 36.44 6.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 0.0 110.591 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.9 p -151.4 134.32 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.867 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.75 114.84 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.792 HD11 ' HA3' ' A' ' 7' ' ' GLY . 26.5 mm -76.27 94.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.006 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.8 p -96.93 145.17 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.746 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -35.17 -45.02 0.28 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.211 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -59.39 -46.81 87.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.934 0.397 . . . . 0.0 111.25 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -61.82 -50.88 70.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.414 -179.43 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.5 ptm180 -65.69 -45.76 81.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.735 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 18.9 pt-20 -60.8 -45.41 94.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.832 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -54.07 -47.46 71.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 16' ' ' LEU . 7.2 t -61.59 -52.67 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.853 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.403 HG23 HD11 ' A' ' 3' ' ' LEU . 63.6 m -63.67 -29.1 70.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.62 84.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.737 ' HB3' HG21 ' A' ' 78' ' ' ILE . 8.7 mmtt -70.08 -44.75 68.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.404 ' HE2' HG11 ' A' ' 37' ' ' VAL . 1.5 m-85 -51.47 -48.15 62.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.03 -51.2 62.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -29.45 46.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.693 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.646 HD23 ' HE2' ' A' ' 31' ' ' PHE . 4.5 mp -80.83 -32.46 35.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.47 -14.94 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.545 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.44 -57.92 4.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.682 0.277 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.2 p90 -87.59 -23.95 24.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.511 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.646 ' HE2' HD23 ' A' ' 27' ' ' LEU . 20.2 m-30 -94.97 118.92 32.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.823 0.344 . . . . 0.0 110.582 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.6 -29.67 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -75.58 71.07 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.417 HD11 ' CB ' ' A' ' 31' ' ' PHE . 28.2 mt -139.76 124.36 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.8 -62.49 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.96 120.88 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.525 ' CG1' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -126.94 136.72 59.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.845 179.69 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.474 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -133.11 146.25 51.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 51' ' ' ASP . 15.0 t -138.67 146.47 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 6' ' ' THR . 20.2 t -142.88 136.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.16 0.505 . . . . 0.0 110.978 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.846 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.77 129.79 41.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.828 -179.084 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.518 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 22.2 ttpt -102.11 136.17 42.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.325 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.415 HG22 ' CE ' ' A' ' 70' ' ' MET . 38.8 t -116.06 114.73 47.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.581 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -135.65 152.33 51.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.57 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.65 -20.18 7.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.93 -84.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.8 m -129.43 152.63 48.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 111.343 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 6.4 m170 -95.84 133.88 39.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.296 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.1 m -124.68 137.44 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.043 0.449 . . . . 0.0 111.569 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 98.1 p -134.01 141.53 47.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.31 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.575 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.2 p30 -126.51 150.05 49.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.403 . . . . 0.0 111.135 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.832 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -136.79 142.8 42.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.36 105.15 4.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.054 HD13 HD21 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -100.52 145.41 28.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.181 -179.757 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.427 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 20.3 m-70 -109.38 134.52 51.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.671 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.511 HG21 ' CE1' ' A' ' 88' ' ' HIS . 19.2 t -141.75 117.4 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.331 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 41.19 -94.04 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.811 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.53 29.73 5.36 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.6 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.45 156.92 25.98 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.187 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.427 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 2.0 mt-10 -140.48 126.82 19.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 111.178 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.05 140.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.418 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -133.43 113.67 12.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.977 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.838 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -133.68 163.03 30.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.887 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.7 p -140.14 151.58 45.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.668 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.07 145.6 39.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.313 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.62 147.08 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.623 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' A' ' 72' ' ' ALA . . . -150.3 159.02 27.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.8 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -58.33 -15.81 11.91 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.421 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 10.9 p30 -154.1 176.69 11.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.742 0.306 . . . . 0.0 110.479 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.66 ' HG2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.41 -15.63 60.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.316 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -87.18 -38.62 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.793 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -69.11 -41.71 77.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.011 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.64 75.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.6 mm -75.47 -28.21 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.97 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.27 -53.59 34.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.08 -30.13 72.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.403 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.832 HD11 ' CB ' ' A' ' 52' ' ' ALA . 13.0 tp -67.49 -42.78 82.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.639 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.737 HG21 ' HB3' ' A' ' 23' ' ' LYS . 47.3 mm -80.06 -15.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.161 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.47 -59.56 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 110.605 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -37.33 87.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.526 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -59.29 -49.15 78.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.771 179.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.59 -59.73 4.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -32.21 18.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.204 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -75.34 -44.92 42.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.721 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.054 HD21 HD13 ' A' ' 54' ' ' LEU . 3.2 mm? -59.27 -43.29 92.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.414 ' HG1' ' HZ ' ' A' ' 31' ' ' PHE . 1.7 m -64.88 -40.33 94.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -60.36 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.728 ' CE1' HD13 ' A' ' 85' ' ' LEU . 1.5 p-80 -69.35 -28.83 66.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.253 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.41 ' N ' ' CD2' ' A' ' 88' ' ' HIS . 7.6 tmtt? -65.94 -21.26 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.251 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.098 179.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mtm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 1.2 tt0 -121.39 129.51 53.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.795 HD11 HG23 ' A' ' 21' ' ' THR . 1.3 pt? -123.47 147.62 47.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.45 155.63 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.688 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -131.72 153.97 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.214 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.677 ' O ' HG13 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -139.42 118.72 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.133 179.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.646 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -102.02 123.97 8.05 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.95 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -102.14 116.94 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.568 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.5 t30 67.72 34.74 4.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.85 HG21 ' CE ' ' A' ' 70' ' ' MET . 11.6 p -152.25 135.99 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.76 118.12 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.857 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.646 HD11 ' HA3' ' A' ' 7' ' ' GLY . 25.0 mm -81.71 96.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.47 140.09 29.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.765 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -38.3 -36.31 0.22 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.069 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -47.54 65.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.0 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.788 HD21 ' HE3' ' A' ' 70' ' ' MET . 4.4 tp -57.11 -67.3 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.11 -38.17 11.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.38 -45.57 93.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CZ ' ' HE3' ' A' ' 23' ' ' LYS . 59.7 t80 -54.27 -46.85 72.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 t -61.58 -51.66 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.783 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.795 HG23 HD11 ' A' ' 3' ' ' LEU . 2.9 m -63.81 -31.34 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.587 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.14 89.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.634 ' HB3' HG21 ' A' ' 78' ' ' ILE . 23.8 mmtt -65.07 -53.03 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.45 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.787 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 4.4 m-85 -53.0 -44.64 67.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.553 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.98 -55.62 22.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.759 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -28.44 27.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.784 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 82' ' ' ALA . 6.7 mp -80.39 -28.85 37.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.476 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.18 -14.02 22.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.492 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -72.01 -54.01 11.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.798 0.332 . . . . 0.0 111.013 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.1 p90 -93.55 -30.71 14.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.263 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.808 ' HB3' HD11 ' A' ' 34' ' ' ILE . 17.7 m-30 -91.99 118.15 30.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.834 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -108.78 4.05 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.306 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.769 ' HB3' HG13 ' A' ' 56' ' ' VAL . 1.7 mmp_? -100.29 57.78 0.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 110.999 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.808 HD11 ' HB3' ' A' ' 31' ' ' PHE . 3.6 mp -140.46 105.85 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -112.08 -54.84 2.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 2' ' ' GLN . 17.7 tt0 -125.37 116.27 21.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.675 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.787 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 3.2 t -126.12 134.08 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -128.11 125.08 38.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.578 179.257 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.688 ' HB ' HG22 ' A' ' 5' ' ' ILE . 19.2 t -124.0 144.25 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.31 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 6' ' ' THR . 21.6 t -140.42 134.37 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.194 0.521 . . . . 0.0 110.912 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.27 126.11 34.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.669 -179.014 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -102.43 138.42 39.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.325 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.4 t -119.67 109.61 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.41 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -128.82 152.51 48.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.611 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.03 -21.37 3.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.865 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.6 t -85.36 -84.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -129.48 153.78 47.64 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.917 0.389 . . . . 0.0 111.493 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -97.27 133.67 41.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.498 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.6 m -122.73 139.6 53.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 111.396 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.406 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 51.2 p -137.7 144.58 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.679 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.598 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.5 p30 -130.22 145.66 51.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.867 0.365 . . . . 0.0 111.085 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.723 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -132.54 140.73 48.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.63 HG23 ' CD2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -140.66 106.79 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.057 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.69 HD22 HD21 ' A' ' 85' ' ' LEU . 3.0 mp -101.46 145.74 28.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.008 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -107.64 140.12 41.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.769 HG13 ' HB3' ' A' ' 33' ' ' ARG . 35.1 t -136.06 152.85 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -59.95 104.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.032 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.09 -19.97 51.53 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.043 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.22 157.81 27.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.834 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -140.41 129.64 23.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 110.747 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.406 ' H ' HD12 ' A' ' 61' ' ' ILE . 3.6 mp -101.94 139.5 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.042 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.63 ' CD2' HG23 ' A' ' 53' ' ' THR . 17.4 t-160 -133.53 112.28 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.48 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.641 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -135.38 163.37 30.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.221 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.3 p -140.64 150.85 44.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.323 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.745 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -141.07 150.73 43.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.001 0.429 . . . . 0.0 111.587 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -119.7 151.08 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.7 160.13 28.63 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.711 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -59.16 -17.27 25.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.593 0.235 . . . . 0.0 111.509 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -153.63 169.65 22.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.744 0.307 . . . . 0.0 110.764 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.85 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -59.76 -19.81 52.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.413 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -85.92 -40.06 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.83 -42.26 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 50' ' ' SER . . . -55.81 -40.36 72.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.411 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.9 mm -73.33 -32.63 38.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.91 -56.1 20.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.96 -28.19 70.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.4 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.745 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 13.0 tp -70.96 -43.96 67.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.634 HG21 ' HB3' ' A' ' 23' ' ' LYS . 46.7 mm -79.52 -15.45 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.68 -56.72 4.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -33.71 76.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.698 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -63.22 -47.89 80.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.561 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -57.53 -57.93 10.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -49.02 -33.82 11.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.34 -40.85 67.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.514 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -60.87 -41.91 96.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.735 179.704 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.614 HG23 ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -63.06 -41.77 99.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.719 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -55.47 24.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.478 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.5 p-80 -70.93 -25.26 62.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.276 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -70.76 -20.39 62.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.203 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.42 -28.14 60.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -66.74 -40.57 88.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.5 mp -65.51 -71.65 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -66.72 86.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -114.61 80.88 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.948 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 mmt . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.789 0.328 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.96 83.01 1.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.751 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.93 149.36 44.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -144.25 164.37 30.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.629 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.1 pt -134.7 154.23 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.821 ' O ' HG13 ' A' ' 40' ' ' VAL . 3.0 m -141.17 119.04 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.171 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.53 126.02 8.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.996 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -97.34 110.76 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.411 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.8 39.2 1.5 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.446 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.602 HG21 HG23 ' A' ' 43' ' ' VAL . 4.7 t -150.87 132.43 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -76.48 118.37 19.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -66.97 95.69 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 p -95.74 129.1 43.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.698 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -37.58 -34.12 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.21 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.89 -47.32 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 111.323 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.499 ' C ' HD13 ' A' ' 16' ' ' LEU . 2.5 tm? -59.81 -58.83 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -56.07 -42.77 77.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.51 -44.68 89.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -56.34 -44.63 80.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.1 t -64.05 -57.84 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.819 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -60.16 -29.41 68.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.771 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.56 86.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.022 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.554 ' O ' HD13 ' A' ' 27' ' ' LEU . 6.5 mmtt -67.48 -49.25 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.587 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.593 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 4.8 m-85 -49.69 -47.47 50.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.804 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.43 -54.32 28.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.064 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -27.09 55.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 82' ' ' ALA . 10.8 mp -82.92 -25.04 32.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.657 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.06 -13.65 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.564 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -71.9 -47.48 52.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.719 0.295 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.1 p90 -102.35 2.7 37.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.811 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' HB3' HD11 ' A' ' 34' ' ' ILE . 15.4 m-30 -120.46 118.73 31.03 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.45 -27.73 9.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.914 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.686 HH21 HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -77.31 70.68 3.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.016 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.475 HD11 ' HB3' ' A' ' 31' ' ' PHE . 31.7 mt -141.48 123.1 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -128.55 -58.7 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.467 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.19 116.96 19.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 111.496 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 3.2 t -127.63 134.73 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.541 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -130.44 136.57 49.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.969 0.414 . . . . 0.0 111.105 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 51' ' ' ASP . 14.8 t -129.84 143.88 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.071 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 6' ' ' THR . 22.4 t -141.73 135.08 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.843 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.18 129.74 42.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.732 -178.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -106.65 139.27 41.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.301 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.602 HG23 HG21 ' A' ' 10' ' ' VAL . 54.8 t -117.59 118.74 59.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.179 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -136.89 152.64 50.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.5 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -45.72 -27.69 0.87 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.504 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -89.31 -128.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.49 155.2 23.5 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-O 120.92 0.39 . . . . 0.0 111.347 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.425 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 9.2 m170 -94.75 150.64 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.315 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -134.05 119.8 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 0.0 111.606 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.548 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -128.68 141.83 51.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.568 179.372 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.725 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.1 p30 -124.75 152.09 44.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.136 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -142.3 110.43 5.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.029 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -110.06 111.11 22.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.104 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.574 HD13 HD12 ' A' ' 81' ' ' LEU . 6.4 mp -100.61 145.37 28.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -103.89 137.84 41.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 m -140.47 155.22 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -67.94 106.92 2.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.18 -20.73 9.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.585 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.46 -174.05 42.61 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -140.46 131.78 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.18 140.68 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -133.36 112.16 11.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.834 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.715 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -125.84 155.37 41.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.87 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 149.02 41.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.473 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -142.56 159.2 42.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 111.455 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -122.08 149.59 43.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.626 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.11 157.27 27.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.68 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -16.14 27.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.532 0.206 . . . . 0.0 111.533 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.425 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 1.2 p-10 -150.59 169.12 22.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.836 0.35 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.596 ' CE ' HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -60.86 -19.51 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -89.97 -39.3 13.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 110.816 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.12 -46.17 85.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.548 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -54.17 -34.4 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 78' ' ' ILE . 35.4 mm -76.97 -30.45 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -54.96 19.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.762 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.41 -34.54 79.88 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 65.9 tp -70.22 -43.06 71.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 74' ' ' ILE . 2.8 tp -75.35 -17.24 15.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.347 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -78.5 -54.69 5.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -67.33 -28.91 68.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.759 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -66.75 -51.07 60.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.563 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.36 -56.2 24.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -52.63 -34.35 50.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.329 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -74.88 -45.14 44.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.967 0.413 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.722 HD13 ' CE1' ' A' ' 88' ' ' HIS . 2.8 mm? -57.97 -41.65 83.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.752 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.1 m -66.45 -40.01 89.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -52.04 -60.13 3.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.024 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.722 ' CE1' HD13 ' A' ' 85' ' ' LEU . 1.5 p-80 -68.29 -20.33 64.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -72.99 -21.69 60.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.201 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.9 -22.74 31.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.069 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -58.51 -54.1 50.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.048 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.686 HD13 HH21 ' A' ' 33' ' ' ARG . 3.8 mp -72.8 65.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.79 164.16 25.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.21 116.82 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 30.1 m80 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.935 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.915 0.388 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -125.47 145.65 49.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.548 ' HA ' HG23 ' A' ' 37' ' ' VAL . 0.6 OUTLIER -119.5 139.69 51.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -119.51 122.49 41.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.0 mt -100.66 137.48 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.318 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' VAL . 2.4 m -152.0 118.24 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.773 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 136.59 11.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.344 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -84.62 109.47 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.4 t30 70.53 45.22 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.265 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.527 ' CG2' HG23 ' A' ' 43' ' ' VAL . 8.2 t -151.17 134.79 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.41 125.18 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.7 mm -76.64 97.14 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 p -96.98 144.95 26.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.733 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 3.3 mp0 -33.14 -55.22 0.4 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.3 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.45 78.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.18 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.83 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -55.62 -67.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.978 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -40.11 74.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 2.7 tt0 -62.07 -52.71 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.505 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE2' HD13 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -57.83 -45.12 86.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.225 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 16' ' ' LEU . 5.8 t -60.38 -49.48 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.023 0.439 . . . . 0.0 110.464 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -62.26 -30.02 70.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.292 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -54.12 -44.05 70.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.757 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.556 ' O ' HD13 ' A' ' 27' ' ' LEU . 17.7 mmtt -70.16 -55.0 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.58 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.558 ' HE2' HG11 ' A' ' 37' ' ' VAL . 4.1 m-85 -48.67 -51.77 26.71 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.057 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.67 51.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.911 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -26.78 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 23' ' ' LYS . 9.8 mp -82.04 -29.09 32.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.047 0.451 . . . . 0.0 110.689 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.92 -13.65 27.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.613 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.81 -57.99 4.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.716 0.293 . . . . 0.0 111.246 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.508 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -90.72 -11.76 38.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.808 -179.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.463 ' CZ ' ' CB ' ' A' ' 85' ' ' LEU . 21.8 m-30 -106.13 119.53 39.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -107.92 -24.29 11.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -78.96 73.12 5.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.82 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.3 mt -143.04 123.48 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.0 -65.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -128.99 121.21 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -124.94 136.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -133.89 148.91 51.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.9 t -138.34 145.97 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 6' ' ' THR . 21.7 t -140.39 132.95 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.153 0.502 . . . . 0.0 111.131 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.836 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.75 127.65 37.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.057 -178.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -101.73 135.83 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.066 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.527 HG23 ' CG2' ' A' ' 10' ' ' VAL . 42.4 t -115.15 116.55 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 111.482 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -136.76 152.18 50.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.561 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -55.24 -19.63 8.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.809 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.7 t -84.69 -84.07 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 m -129.36 152.55 48.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.943 0.401 . . . . 0.0 111.416 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 48' ' ' HIS . 4.7 m170 -96.29 133.39 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.396 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.3 m -127.03 138.75 53.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.939 0.4 . . . . 0.0 111.536 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.62 138.5 30.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.652 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.6 p30 -119.48 148.89 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.446 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -137.19 110.74 8.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 111.333 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.94 107.23 17.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.761 HD13 HD12 ' A' ' 81' ' ' LEU . 8.6 mp -98.33 144.68 27.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.902 0.382 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -105.52 138.64 41.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.985 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 57' ' ' ASN . 21.7 t -131.58 156.33 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.035 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.444 ' N ' HG12 ' A' ' 56' ' ' VAL . 2.2 m120 -61.71 102.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.24 -15.35 62.32 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.882 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.88 157.95 26.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.671 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -139.59 124.96 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.755 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.578 HD11 ' CE1' ' A' ' 88' ' ' HIS . 3.5 mt -102.52 140.62 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -133.47 111.95 11.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.718 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.838 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -130.2 158.31 40.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.96 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -140.9 151.18 44.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.833 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -146.44 166.48 26.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.035 0.445 . . . . 0.0 111.359 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -137.79 159.82 40.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.642 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -160.09 171.27 36.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.663 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -61.73 -12.74 18.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -154.12 176.13 12.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.683 0.277 . . . . 0.0 110.664 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.576 ' HE1' HG12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -59.27 -52.63 64.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.953 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -59.65 -39.12 83.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.6 -55.81 27.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.264 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.44 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.385 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.576 HG12 ' HE1' ' A' ' 70' ' ' MET . 43.1 mm -77.88 -27.54 15.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -55.82 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.603 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.27 -33.18 81.8 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.437 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.833 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 17.6 tp -73.73 -45.9 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 74' ' ' ILE . 1.1 tp -67.97 -19.39 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.286 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -80.23 -48.36 13.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.411 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -65.54 -36.11 82.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.724 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -65.0 -51.89 59.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.58 4.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.868 0.366 . . . . 0.0 110.998 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -50.74 -32.49 19.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.3 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -74.95 -43.89 51.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.736 HD13 ' HE1' ' A' ' 88' ' ' HIS . 3.0 mm? -61.69 -42.05 98.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.412 ' HA ' ' HG2' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -66.15 -41.56 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -61.37 2.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.914 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.736 ' HE1' HD13 ' A' ' 85' ' ' LEU . 2.6 p-80 -67.13 -41.05 86.78 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' N ' ' CD2' ' A' ' 88' ' ' HIS . 0.1 OUTLIER -66.2 -17.51 64.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.629 0.252 . . . . 0.0 111.335 -179.573 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -36.85 48.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.922 0.391 . . . . 0.0 110.663 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -58.37 -53.96 52.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.8 mp -82.79 62.34 6.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -89.13 158.42 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.792 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.67 99.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.821 0.343 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -103.82 82.44 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.5 pt? -122.65 148.25 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.15 158.58 43.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.47 HD11 ' HB2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -125.75 153.69 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -135.68 162.89 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.234 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.92 125.55 2.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.951 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.1 p30 -96.33 116.13 28.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 5.7 t-20 85.44 -43.21 0.06 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.585 HG22 ' N ' ' A' ' 11' ' ' GLU . 10.5 p -95.64 167.59 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.585 ' N ' HG22 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -110.36 148.7 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.995 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.9 mm -80.73 102.87 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.4 p -94.75 142.55 27.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -36.86 -40.81 0.29 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.16 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -48.02 72.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.047 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.606 HD13 ' HG2' ' A' ' 70' ' ' MET . 20.2 tp -58.23 -60.18 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.661 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 5' ' ' ILE . 3.2 ptt180 -52.4 -41.14 62.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.749 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.2 mm-40 -63.47 -52.45 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -52.8 -49.25 66.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.3 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 16' ' ' LEU . 21.7 t -59.34 -44.66 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -71.21 -30.64 66.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.745 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.89 -44.74 82.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.491 ' O ' HD13 ' A' ' 27' ' ' LEU . 2.1 mmtt -72.12 -48.13 46.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.54 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CE1' HG11 ' A' ' 37' ' ' VAL . 1.7 m-85 -53.25 -46.37 69.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.631 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.41 71.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.766 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -28.24 67.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.468 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 82' ' ' ALA . 9.3 mp -84.32 -25.14 29.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.66 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.614 ' OE2' HD12 ' A' ' 34' ' ' ILE . 8.5 tp10 -65.95 -13.05 59.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.656 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -66.45 -49.76 65.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.714 0.292 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.51 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -101.64 2.51 38.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.859 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.533 ' HE2' HD23 ' A' ' 27' ' ' LEU . 22.0 m-30 -114.26 118.71 34.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.823 0.344 . . . . 0.0 111.007 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -108.52 -29.32 8.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.96 73.19 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.614 HD12 ' OE2' ' A' ' 28' ' ' GLU . 31.6 mt -144.3 116.66 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.07 -63.26 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.099 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.2 116.84 21.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.89 0.376 . . . . 0.0 111.26 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.501 HG11 ' CE1' ' A' ' 24' ' ' PHE . 20.4 t -124.86 133.05 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.11 137.19 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.992 0.425 . . . . 0.0 110.911 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 51' ' ' ASP . 22.2 t -130.83 145.16 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.182 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.474 ' C ' HD13 ' A' ' 41' ' ' LEU . 21.4 t -142.18 137.13 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.967 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.44 130.14 42.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.798 -179.027 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -101.38 133.93 45.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.359 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.418 HG21 ' HE2' ' A' ' 70' ' ' MET . 21.5 t -114.83 116.33 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -136.48 152.69 50.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.569 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -52.7 -20.02 2.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.918 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.2 t -86.55 -85.96 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.7 m -128.9 154.76 46.2 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.88 0.371 . . . . 0.0 111.474 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -98.87 135.17 40.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.5 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.5 m -129.63 142.93 50.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.875 0.369 . . . . 0.0 111.466 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.8 m -141.35 146.61 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.547 ' O ' HG13 ' A' ' 39' ' ' VAL . 2.3 p30 -128.26 143.52 51.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.698 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.915 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -139.01 110.35 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.973 0.416 . . . . 0.0 111.742 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.8 m -102.74 110.86 22.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.535 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.687 HD13 HD12 ' A' ' 81' ' ' LEU . 10.9 mp -97.09 145.91 25.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.942 0.401 . . . . 0.0 111.197 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.434 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 6.7 m-70 -108.36 138.13 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.887 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 59' ' ' GLY . 27.2 m -120.23 170.07 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -32.44 -54.18 0.33 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -141.51 41.36 1.24 Allowed Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.981 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.402 ' N ' HG23 ' A' ' 56' ' ' VAL . . . -158.89 168.49 35.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.348 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 14.6 mt-10 -136.5 116.37 13.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.974 0.416 . . . . 0.0 111.402 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.7 mt -103.72 139.16 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.417 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -134.04 111.99 10.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.608 0.242 . . . . 0.0 110.981 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.884 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -128.48 157.58 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.805 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.0 m -141.02 148.87 40.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.241 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -144.46 156.64 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 111.877 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.12 160.15 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.054 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' HA3' ' HB1' ' A' ' 72' ' ' ALA . . . -148.95 -67.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.205 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 179.73 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.53 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 1.5 p30 -140.65 176.68 8.59 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.779 0.323 . . . . 0.0 110.401 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.606 ' HG2' HD13 ' A' ' 16' ' ' LEU . 6.0 tpp -62.67 -23.12 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.418 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -90.95 -32.81 15.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.53 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -62.95 -49.87 73.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.029 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -31.2 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.0 mm -79.55 -24.49 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -52.82 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.733 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.92 -33.81 70.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.285 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.915 HD21 ' HB2' ' A' ' 52' ' ' ALA . 21.3 tp -68.75 -40.63 79.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.409 . . . . 0.0 110.652 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' A' ' 23' ' ' LYS . 38.2 mm -80.64 -13.71 12.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.114 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.21 -54.73 5.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.97 0.414 . . . . 0.0 110.491 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -68.06 -34.92 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.64 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.884 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -64.39 -48.56 74.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.928 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.552 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.82 -55.31 36.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.093 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -53.69 -32.73 52.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.401 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -76.85 -48.72 17.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.756 HD13 ' HE1' ' A' ' 88' ' ' HIS . 2.8 mm? -58.04 -42.78 86.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.838 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.7 m -66.37 -39.58 89.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -61.17 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.756 ' HE1' HD13 ' A' ' 85' ' ' LEU . 1.7 p-80 -66.85 -26.68 67.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.188 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -19.91 63.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.284 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.66 -26.76 37.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -70.52 -48.74 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.8 mp -94.63 44.91 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.012 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -103.92 -36.24 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.69 -179.25 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.7 t60 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.948 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 mtm . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.772 0.32 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -140.9 -155.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.567 HD11 HG23 ' A' ' 21' ' ' THR . 1.8 pt? -110.12 143.09 40.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.54 167.84 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 mt -126.55 153.61 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.659 ' O ' HG13 ' A' ' 40' ' ' VAL . 1.3 m -129.71 118.91 22.62 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.58 123.76 8.01 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.123 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -114.94 109.46 18.16 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 70.52 30.28 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.362 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG11 HD23 ' A' ' 41' ' ' LEU . 9.7 p -151.64 135.64 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.832 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.04 119.54 23.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.153 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.98 99.28 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.678 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -97.71 146.2 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -38.36 -33.48 0.1 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.991 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.28 -48.41 34.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.752 HD21 ' SD ' ' A' ' 70' ' ' MET . 0.9 OUTLIER -57.96 -66.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -38.61 23.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -62.81 -43.22 99.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -55.71 -47.11 77.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.2 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -61.39 -48.43 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.567 HG23 HD11 ' A' ' 3' ' ' LEU . 2.0 m -68.16 -32.42 72.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.29 -43.45 78.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HB3' HG21 ' A' ' 78' ' ' ILE . 16.4 mmtt -70.21 -51.74 28.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.606 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.8 m-85 -52.25 -45.58 65.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.579 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.35 69.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.716 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -27.96 58.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.483 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 8.5 mp -82.29 -27.91 32.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.525 ' HG2' HD13 ' A' ' 34' ' ' ILE . 2.6 mm-40 -63.88 -13.08 42.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.597 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.76 -56.32 8.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.765 0.317 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.483 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -89.41 -24.66 21.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.299 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.511 ' CZ ' HG23 ' A' ' 86' ' ' THR . 21.2 m-30 -92.89 127.1 38.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.729 0.3 . . . . 0.0 110.582 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -105.3 -31.5 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.012 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.764 ' HB3' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -70.28 66.53 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.971 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.525 HD13 ' HG2' ' A' ' 28' ' ' GLU . 26.7 mt -138.15 109.79 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -123.57 -58.94 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.57 116.68 20.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.981 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.606 HG11 ' CE1' ' A' ' 24' ' ' PHE . 22.1 t -130.95 135.56 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.29 132.91 47.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.067 0.46 . . . . 0.0 110.936 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 51' ' ' ASP . 13.4 t -123.16 144.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.296 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 6' ' ' THR . 23.1 t -141.54 131.95 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.011 0.434 . . . . 0.0 110.825 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.866 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.2 128.41 39.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.977 -178.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -103.9 138.56 40.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.202 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.48 HG13 ' CE1' ' A' ' 48' ' ' HIS . 25.6 t -119.89 114.32 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -132.89 152.72 51.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.459 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -51.53 -20.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.001 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.72 -85.23 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.2 m -129.09 154.22 46.89 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 111.42 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.48 ' CE1' HG13 ' A' ' 43' ' ' VAL . 6.1 m-70 -99.38 136.62 39.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.612 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.4 m -127.19 136.14 51.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.251 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -137.62 148.4 45.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.737 ' O ' HG13 ' A' ' 39' ' ' VAL . 2.9 p30 -132.62 158.4 42.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.761 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -152.08 110.89 3.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.036 0.446 . . . . 0.0 111.615 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -103.82 109.14 20.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.752 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.55 HD13 HD12 ' A' ' 81' ' ' LEU . 7.7 mp -95.71 143.99 26.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.949 0.404 . . . . 0.0 110.975 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -101.72 136.06 42.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.764 HG13 ' HB3' ' A' ' 33' ' ' ARG . 22.0 t -135.35 146.36 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -59.32 105.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.769 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.73 -21.39 42.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.138 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.65 163.96 30.14 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.909 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -137.61 127.98 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.723 0.297 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mt -102.37 138.91 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -133.18 112.22 11.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.652 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.858 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -125.77 156.89 38.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.698 0.285 . . . . 0.0 111.248 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -140.78 147.07 38.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.319 179.532 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -144.53 164.57 30.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 111.394 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.7 162.17 36.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.533 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.01 174.67 39.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.73 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -16.93 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.498 ' OD1' ' HB2' ' A' ' 72' ' ' ALA . 6.2 p-10 -153.41 174.32 14.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 110.6 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.752 ' SD ' HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -60.52 -53.33 58.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.934 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.613 ' CE1' HD22 ' A' ' 16' ' ' LEU . 58.4 m-85 -58.24 -40.01 80.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB2' ' OD1' ' A' ' 69' ' ' ASP . . . -55.82 -53.47 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.88 -34.54 55.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.311 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.49 -29.81 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -68.62 -53.47 22.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.787 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.29 -31.72 68.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.398 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.761 HD11 ' HB3' ' A' ' 52' ' ' ALA . 3.2 tm? -69.19 -41.54 77.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.471 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 23' ' ' LYS . 43.0 mm -79.99 -14.81 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.83 -55.95 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 110.62 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -32.47 73.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.708 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.858 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -63.84 -48.28 77.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.814 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -55.87 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -52.7 -33.91 49.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.299 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -45.68 39.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.77 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.67 HD13 ' HE1' ' A' ' 88' ' ' HIS . 0.6 OUTLIER -59.59 -41.0 89.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.84 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -66.54 -40.53 89.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -54.82 42.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.828 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.67 ' HE1' HD13 ' A' ' 85' ' ' LEU . 2.9 p-80 -72.37 -42.17 65.57 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.458 ' CG ' ' HA ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -63.38 -17.31 62.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.508 -179.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.31 -44.97 70.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.789 0.328 . . . . 0.0 111.022 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.681 ' HG2' HD12 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -58.23 -21.69 49.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.681 HD12 ' HG2' ' A' ' 91' ' ' LYS . 2.9 mp -96.43 36.23 1.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.348 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -111.01 -31.42 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -121.92 135.99 54.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.912 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.796 0.331 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.25 -86.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.024 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.613 HD21 HG23 ' A' ' 21' ' ' THR . 0.7 OUTLIER -123.23 141.48 51.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.793 0.33 . . . . 0.0 111.095 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -121.93 128.27 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.739 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.1 mt -102.0 137.62 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.468 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 2.8 m -151.85 118.31 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.753 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.0 136.73 10.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.17 -1.014 . . . . 0.0 113.489 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -84.45 109.73 18.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 t30 71.57 44.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.073 0.463 . . . . 0.0 110.191 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 43' ' ' VAL . 16.6 t -151.57 135.61 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.74 126.01 36.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -79.33 98.41 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.8 p -103.46 153.87 20.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -33.01 -53.99 0.37 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.256 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.24 82.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.709 HD21 ' SD ' ' A' ' 70' ' ' MET . 0.1 OUTLIER -56.99 -55.27 36.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.3 ptp180 -61.39 -42.46 98.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 3.8 mm-40 -61.93 -55.52 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -45.77 -53.77 9.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.828 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 16' ' ' LEU . 13.1 t -61.48 -53.09 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.264 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.613 HG23 HD21 ' A' ' 3' ' ' LEU . 38.8 m -60.03 -31.09 69.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.18 89.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.856 ' HB3' HG21 ' A' ' 78' ' ' ILE . 10.8 mmtt -67.26 -55.23 14.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.787 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.83 -47.94 60.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.06 -53.04 47.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.0 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -28.47 41.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD23 ' HE2' ' A' ' 31' ' ' PHE . 7.9 mp -81.32 -29.74 34.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.34 -14.64 41.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.635 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.14 -59.48 2.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.342 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.47 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.1 p90 -87.63 2.39 51.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.94 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.629 ' CB ' HD11 ' A' ' 34' ' ' ILE . 15.3 m-30 -116.13 118.29 32.44 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.656 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.81 4.12 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.556 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.33 62.18 0.63 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 111.092 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.629 HD11 ' CB ' ' A' ' 31' ' ' PHE . 4.4 mt -128.97 123.64 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -121.99 -62.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.104 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -128.87 118.25 22.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -127.84 136.27 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -134.23 148.9 50.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.997 0.427 . . . . 0.0 111.076 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.9 t -136.33 145.75 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.15 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 6' ' ' THR . 20.6 t -142.67 131.35 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 111.144 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.848 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.64 129.16 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.979 -178.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -100.83 137.96 38.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.097 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.483 HG23 ' CG2' ' A' ' 10' ' ' VAL . 40.1 t -117.5 110.31 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.473 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -130.27 152.33 49.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.425 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -20.73 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.819 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -84.5 -84.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.7 m -129.49 152.6 48.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.865 0.364 . . . . 0.0 111.447 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -97.23 132.05 43.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.241 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.4 m -125.68 139.57 53.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.571 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.409 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 8.9 m -140.36 139.39 35.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.766 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -119.1 145.63 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.04 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.861 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -133.52 110.99 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.321 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.4 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 4.5 m -110.66 106.11 15.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.704 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.642 HD13 HD12 ' A' ' 81' ' ' LEU . 6.1 mp -100.02 145.7 27.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -94.35 125.02 38.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.632 HG13 ' NE2' ' A' ' 88' ' ' HIS . 2.1 t -105.65 168.79 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.777 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.533 ' H ' HG12 ' A' ' 56' ' ' VAL . 8.7 m120 -47.06 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.192 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.47 29.19 9.3 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.508 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -165.43 174.87 41.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -140.31 130.31 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -102.14 137.95 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.0 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -133.52 112.3 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.833 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -128.18 159.89 33.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.823 0.344 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 m -140.61 120.23 13.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.329 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -111.9 143.53 42.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.013 0.435 . . . . 0.0 111.441 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.23 149.23 30.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.565 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.48 159.05 27.96 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.705 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.51 -16.11 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.533 0.206 . . . . 0.0 111.46 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.61 167.73 26.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.745 0.307 . . . . 0.0 110.816 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.709 ' SD ' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.95 -19.79 53.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.212 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -86.8 -38.23 17.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.758 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.87 94.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -54.29 -38.26 65.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.315 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.9 mm -73.93 -35.11 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -56.75 17.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.693 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.48 -26.82 73.55 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.288 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.861 HD11 ' HB3' ' A' ' 52' ' ' ALA . 13.5 tp -69.47 -44.65 70.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.066 0.46 . . . . 0.0 110.843 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' A' ' 23' ' ' LYS . 49.9 mm -80.15 -14.64 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.109 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.9 -58.25 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.314 . . . . 0.0 110.434 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -32.86 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.737 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -63.23 -47.79 81.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.816 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.528 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -57.85 -57.64 11.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -50.2 -33.62 19.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -75.63 -44.88 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.608 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.717 HD13 ' HE1' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -58.84 -44.48 90.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.772 179.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.9 m -63.09 -41.42 99.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -52.21 -54.14 34.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.717 ' HE1' HD13 ' A' ' 85' ' ' LEU . 2.3 p-80 -73.93 -16.82 61.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.304 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -24.83 58.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.323 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -83.93 -19.51 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.289 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 88' ' ' HIS . 1.0 OUTLIER -57.1 -54.03 51.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.82 0.343 . . . . 0.0 110.998 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.5 mt -85.63 -66.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.22 12.27 8.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.453 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.34 38.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.767 0.318 . . . . 0.0 110.959 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.0 m170 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.94 179.855 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.792 0.33 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.0 86.31 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.75 147.32 44.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -142.21 159.95 41.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.54 HD11 ' HB3' ' A' ' 17' ' ' ARG . 1.1 pt -131.88 154.07 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.772 ' O ' HG13 ' A' ' 40' ' ' VAL . 89.6 m -139.2 118.57 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.852 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.692 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -100.39 130.34 10.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.976 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 8' ' ' ASN . 3.0 p30 -107.89 109.96 21.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 110.519 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.8 t30 72.21 34.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.667 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.83 HG21 ' CE ' ' A' ' 70' ' ' MET . 10.8 p -152.03 135.62 8.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.936 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.28 119.58 17.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.692 HD11 ' HA3' ' A' ' 7' ' ' GLY . 24.6 mm -82.5 93.84 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -98.14 145.56 26.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -36.95 -43.69 0.47 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.32 -45.12 76.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.987 0.422 . . . . 0.0 111.067 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.831 ' O ' HG23 ' A' ' 20' ' ' VAL . 10.4 tp -55.83 -67.77 0.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.915 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HB3' HD11 ' A' ' 5' ' ' ILE . 6.8 ptm180 -52.1 -39.52 59.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.745 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -64.01 -55.21 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.452 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.702 ' HE2' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.44 -45.9 90.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.334 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 16' ' ' LEU . 5.5 t -63.52 -51.88 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 110.608 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.8 m -62.83 -38.21 89.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.402 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.89 -40.09 63.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HB3' HG21 ' A' ' 78' ' ' ILE . 5.5 mmtt -67.37 -54.19 22.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.31 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.729 ' CE1' HG11 ' A' ' 37' ' ' VAL . 3.3 m-85 -52.19 -44.17 64.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.499 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.03 -52.63 62.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.707 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.71 -28.09 20.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.745 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 82' ' ' ALA . 6.7 mp -81.81 -29.83 32.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.41 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.12 -13.99 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.524 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -72.05 -53.6 12.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.2 p90 -93.52 -24.23 18.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.398 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.743 ' HB3' HD11 ' A' ' 34' ' ' ILE . 21.3 m-30 -101.21 118.79 37.68 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.678 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.22 -1.38 20.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.391 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.63 ' O ' HG12 ' A' ' 56' ' ' VAL . 11.3 mtt-85 -90.45 50.74 1.88 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.743 HD11 ' HB3' ' A' ' 31' ' ' PHE . 3.5 mp -139.0 113.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -113.32 -56.12 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -126.32 116.76 21.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.729 HG11 ' CE1' ' A' ' 24' ' ' PHE . 18.9 t -122.05 134.08 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.4 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -128.9 125.66 38.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 51' ' ' ASP . 6.7 t -122.3 146.76 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.525 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.772 HG13 ' O ' ' A' ' 6' ' ' THR . 21.3 t -141.81 134.27 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.21 0.529 . . . . 0.0 110.793 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.848 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.32 129.37 41.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.801 -178.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -108.27 137.12 46.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.499 HG13 ' CE1' ' A' ' 48' ' ' HIS . 21.9 t -117.65 116.92 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.242 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -136.63 152.97 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.676 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -53.64 -17.4 2.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.13 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -85.53 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.0 m -128.9 153.73 47.21 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.864 0.364 . . . . 0.0 111.45 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.499 ' CE1' HG13 ' A' ' 43' ' ' VAL . 12.3 m-70 -95.82 140.19 30.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 m -128.1 131.69 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 111.48 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -134.17 143.16 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.571 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.676 ' O ' HG13 ' A' ' 39' ' ' VAL . 3.1 p30 -133.4 149.77 51.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.803 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.783 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -147.48 110.96 4.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.04 0.448 . . . . 0.0 111.689 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.408 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.9 m -103.18 111.89 24.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.719 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.817 HD13 HD12 ' A' ' 81' ' ' LEU . 5.2 mp -100.1 145.91 27.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.91 0.386 . . . . 0.0 111.211 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.441 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 14.2 m-70 -105.2 135.91 45.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.779 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 33' ' ' ARG . 20.7 m -140.86 117.49 7.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.251 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m120 39.77 -94.89 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.824 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.47 33.11 4.43 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.7 158.44 27.06 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.213 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 1.9 mp0 -137.93 118.93 14.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 0.0 111.213 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 mp -102.22 141.86 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.507 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.401 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 13.7 t-160 -132.73 112.16 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.701 0.286 . . . . 0.0 111.112 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.904 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -123.48 148.9 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.834 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.4 m -141.53 126.98 18.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.472 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -121.92 164.96 16.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.995 0.426 . . . . 0.0 111.409 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.18 148.57 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.395 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.77 156.77 27.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.688 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -56.76 -17.34 8.76 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.99 173.17 14.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.817 0.341 . . . . 0.0 110.827 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.83 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -63.88 -17.86 63.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.453 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -90.31 -38.16 13.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.933 0.397 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.05 79.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.87 -33.77 62.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.411 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 50.2 mm -79.69 -29.18 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -65.25 -54.76 24.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.556 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.11 -35.34 83.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.571 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.783 HD11 ' HB3' ' A' ' 52' ' ' ALA . 2.1 tm? -69.55 -41.93 75.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 110.743 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.455 HG21 ' HB3' ' A' ' 23' ' ' LYS . 30.7 mm -75.33 -17.31 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -78.17 -53.51 7.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.33 . . . . 0.0 110.719 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 65' ' ' ALA . 7.9 ptpt -68.61 -31.21 70.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.904 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -64.89 -48.82 72.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.509 179.616 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.592 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.06 -56.87 15.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.75 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -51.31 -32.03 23.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -72.45 -39.46 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.531 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 81' ' ' LEU . 1.7 mp -60.84 -40.71 93.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.627 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.492 HG23 ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -65.6 -39.28 91.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.684 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -61.41 2.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.234 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.563 ' CE1' HG11 ' A' ' 56' ' ' VAL . 2.2 p-80 -69.43 -20.1 63.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.442 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -18.9 44.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.319 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.9 -44.84 60.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.031 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -32.04 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.94 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mt -110.96 85.03 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -100.05 -179.33 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -128.98 122.47 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.902 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -113.9 106.75 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.727 HD11 HG23 ' A' ' 21' ' ' THR . 2.6 pt? -122.76 147.14 46.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.62 156.92 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.7 mt -120.6 151.23 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.634 ' O ' HG13 ' A' ' 40' ' ' VAL . 4.0 m -151.68 118.61 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . -114.53 139.28 15.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.246 -0.978 . . . . 0.0 113.518 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -98.6 109.59 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 110.257 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.0 t30 72.62 38.13 0.81 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.716 HG11 HD23 ' A' ' 41' ' ' LEU . 8.7 p -152.01 136.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.94 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -86.97 125.79 34.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 111.202 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.0 mm -89.3 101.25 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.417 ' OG1' HD23 ' A' ' 16' ' ' LEU . 16.5 p -99.91 150.22 22.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -34.51 -44.38 0.2 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.65 73.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.707 HD12 ' HE3' ' A' ' 70' ' ' MET . 3.5 mm? -59.89 -56.0 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -58.91 -43.63 91.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -60.74 -46.94 88.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 71' ' ' TYR . 29.3 t80 -51.65 -48.17 63.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.39 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 t -62.41 -52.99 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.727 HG23 HD11 ' A' ' 3' ' ' LEU . 2.1 m -63.34 -29.73 70.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.044 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -46.02 91.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.178 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.615 ' HB3' HG21 ' A' ' 78' ' ' ILE . 42.5 mmtt -66.39 -52.47 46.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.668 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.72 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 2.6 m-85 -51.26 -44.75 61.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.59 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.14 -55.25 25.59 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.908 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.92 -28.09 21.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 6.4 mp -80.52 -28.47 37.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.061 0.457 . . . . 0.0 110.58 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -14.01 25.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.467 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -72.19 -55.1 7.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.1 p90 -91.9 -26.41 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.396 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.79 ' HB3' HD11 ' A' ' 34' ' ' ILE . 20.7 m-30 -98.85 118.6 35.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.932 0.396 . . . . 0.0 110.697 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -108.43 -12.49 15.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.305 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.934 ' HB3' HG23 ' A' ' 56' ' ' VAL . 1.1 mmp_? -81.9 58.52 3.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.917 0.389 . . . . 0.0 111.079 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.79 HD11 ' HB3' ' A' ' 31' ' ' PHE . 3.7 mp -140.88 115.42 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.006 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -117.25 -56.42 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.741 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.27 116.52 21.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.72 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 4.6 t -125.54 134.77 65.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -129.96 129.82 44.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.745 179.514 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 t -116.45 147.19 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.439 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 6' ' ' THR . 21.8 t -143.55 130.49 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.208 0.528 . . . . 0.0 110.671 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.871 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.41 129.7 41.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.747 -178.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -105.29 131.58 52.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.29 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.44 HG23 ' HB ' ' A' ' 10' ' ' VAL . 22.0 t -114.64 114.17 45.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.419 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 47' ' ' THR . 8.1 pt-20 -135.9 152.45 51.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.567 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -54.51 -19.77 6.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.824 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -83.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 1.2 m -129.09 151.76 49.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.947 0.403 . . . . 0.0 111.465 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 22.9 m-70 -99.93 133.45 44.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.258 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.8 m -128.99 140.15 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.105 0.478 . . . . 0.0 111.829 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.655 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 18.3 p -134.81 144.45 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.492 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 3.0 p30 -136.0 150.93 49.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.865 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.813 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -148.94 116.04 6.06 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.257 0.551 . . . . 0.0 111.736 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.446 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 10.6 m -102.25 111.34 23.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.444 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.631 ' CD2' HD11 ' A' ' 85' ' ' LEU . 7.0 mp -101.03 146.12 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.032 0.444 . . . . 0.0 111.36 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.428 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 18.7 m-70 -105.97 136.9 44.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.753 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.934 HG23 ' HB3' ' A' ' 33' ' ' ARG . 8.2 p -140.81 117.45 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.399 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 39.65 -95.07 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.945 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -119.12 33.43 4.72 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.655 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.99 161.4 28.57 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.187 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 3.5 mt-10 -140.12 122.8 16.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mt -102.04 141.36 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -133.35 111.86 11.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.981 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -123.76 155.19 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.651 0.262 . . . . 0.0 111.158 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 77.7 p -141.17 118.06 11.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.355 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.766 ' N ' HD23 ' A' ' 77' ' ' LEU . . . -115.32 157.56 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 111.562 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -136.3 160.85 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.485 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.25 -107.55 0.49 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.384 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -131.62 -16.83 2.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.641 0.258 . . . . 0.0 111.145 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 5.9 p-10 -157.85 176.95 11.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.301 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.707 ' HE3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -53.18 -57.54 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.688 0.28 . . . . 0.0 111.175 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -53.88 -43.3 69.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.423 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.432 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -60.83 -48.51 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.337 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.655 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -52.25 -32.75 38.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.57 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.5 mm -71.4 -50.55 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.46 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -51.18 -53.74 32.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.583 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.97 -46.46 94.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.801 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 52' ' ' ALA . 1.7 tm? -62.14 -41.41 98.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.742 0.306 . . . . 0.0 111.296 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.615 HG21 ' HB3' ' A' ' 23' ' ' LYS . 39.1 mm -69.5 -19.71 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 111.145 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -76.7 -54.3 6.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 0.0 110.534 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -62.98 -40.35 97.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.785 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.981 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -59.45 -47.85 83.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.977 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -54.98 -63.1 1.26 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.876 0.369 . . . . 0.0 111.015 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 mmm-85 -49.61 -30.71 9.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -73.01 -39.42 66.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.644 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.832 HD12 ' O ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER -60.69 -42.51 97.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.796 179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.0 m -65.32 -39.07 91.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.721 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -54.66 -61.87 2.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.286 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 2.2 p-80 -67.68 -24.86 65.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.407 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -75.78 -15.56 60.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.251 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -73.12 -40.38 64.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.92 -29.63 56.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.055 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.92 59.26 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -146.71 122.06 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -142.27 33.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.985 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mtt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.75 0.309 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -93.01 59.76 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.672 ' CD1' HG23 ' A' ' 21' ' ' THR . 0.7 OUTLIER -96.89 133.02 42.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -132.09 138.34 48.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.69 153.01 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.815 ' O ' HG13 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -134.26 118.95 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.056 179.432 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.795 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -98.97 123.99 8.08 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.993 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.497 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 10.5 p30 -107.04 111.62 24.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.427 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.4 t30 65.21 37.63 6.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.673 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.78 HG21 ' CE ' ' A' ' 70' ' ' MET . 9.3 p -151.46 133.83 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.87 116.71 13.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.795 HD11 ' HA3' ' A' ' 7' ' ' GLY . 26.0 mm -80.31 94.04 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.78 141.89 28.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.713 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.06 -38.3 0.32 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.091 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -46.64 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.486 HD11 ' HE3' ' A' ' 70' ' ' MET . 3.8 tp -56.84 -68.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 5.7 ptt-85 -47.47 -38.05 12.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.1 mt-10 -61.17 -47.49 85.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -54.55 -46.78 73.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 t -62.14 -52.82 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.672 HG23 ' CD1' ' A' ' 3' ' ' LEU . 1.5 m -63.25 -31.3 72.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.62 91.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.584 ' HB3' HG21 ' A' ' 78' ' ' ILE . 26.2 mmtt -65.61 -54.03 33.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.592 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -51.8 -44.37 63.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.701 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.32 -54.65 33.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -54.03 -28.19 36.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 23' ' ' LYS . 8.9 mp -82.57 -27.92 31.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.643 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -13.78 46.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.623 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -68.46 -58.28 4.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.863 0.364 . . . . 0.0 110.961 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 1.3 p90 -86.57 -12.41 48.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.494 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CB ' HD11 ' A' ' 34' ' ' ILE . 18.2 m-30 -103.72 119.94 39.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.703 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -107.67 -27.3 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' CB ' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -78.44 65.89 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.567 HD11 ' CB ' ' A' ' 31' ' ' PHE . 28.6 mt -138.89 123.22 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.7 -57.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.162 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -129.03 117.1 20.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.913 0.387 . . . . 0.0 111.004 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -123.66 136.08 61.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.78 137.69 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.981 0.42 . . . . 0.0 110.983 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.701 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.1 t -135.96 146.16 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.096 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 6' ' ' THR . 21.5 t -143.84 137.12 24.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.166 0.508 . . . . 0.0 111.106 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.805 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.37 130.98 43.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.901 -179.087 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 8.5 ttpt -102.79 134.81 45.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.107 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.1 t -115.39 116.39 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.608 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.79 152.27 50.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.511 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.05 -21.11 4.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.813 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.1 t -84.63 -84.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -129.53 154.26 47.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.036 0.446 . . . . 0.0 111.398 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 69' ' ' ASP . 7.5 m-70 -101.88 134.09 45.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.32 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.7 m -129.2 142.13 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.03 0.443 . . . . 0.0 111.614 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -137.86 145.14 41.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.784 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.701 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.0 p30 -122.98 147.27 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.08 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.795 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -132.81 141.03 48.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.255 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.715 HG23 ' CG ' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -140.47 105.99 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.956 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.753 HD13 HD21 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -100.37 143.66 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 111.048 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -104.09 138.05 41.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.421 HG13 ' CB ' ' A' ' 33' ' ' ARG . 9.6 t -135.74 153.13 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.68 106.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.67 -22.21 40.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.918 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.89 163.13 29.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.738 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -140.4 132.0 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.66 0.267 . . . . 0.0 110.828 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 mp -101.49 137.69 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.09 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.715 ' CG ' HG23 ' A' ' 53' ' ' THR . 5.6 t-160 -133.89 112.06 10.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.497 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -140.81 166.14 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.252 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 m -140.64 150.32 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.157 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HB3' ' CA ' ' A' ' 77' ' ' LEU . . . -141.74 154.53 45.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.101 0.477 . . . . 0.0 111.635 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -138.24 162.6 33.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.429 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.82 -99.74 0.23 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.606 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.532 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 32.8 tt0 -139.69 -21.7 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.439 ' HA ' ' CG ' ' A' ' 48' ' ' HIS . 3.7 p-10 -153.63 176.59 11.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.712 0.291 . . . . 0.0 110.596 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.78 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -58.01 -23.3 53.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.498 -179.693 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -85.19 -41.53 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.024 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.532 ' HB3' ' H ' ' A' ' 68' ' ' GLN . . . -68.69 -39.48 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.43 73.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.1 mm -75.66 -31.29 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.776 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -55.15 29.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.701 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.46 -29.07 71.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.364 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.795 HD11 ' CB ' ' A' ' 52' ' ' ALA . 16.4 tp -68.03 -42.97 79.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.625 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.584 HG21 ' HB3' ' A' ' 23' ' ' LYS . 46.8 mm -79.95 -15.7 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.106 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.58 -59.03 2.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.446 ' HE2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -65.81 -35.95 82.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.638 HD12 HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -61.18 -49.68 76.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.752 179.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -54.6 -58.78 6.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.051 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -49.7 -32.21 12.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.77 -45.87 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.779 HD13 ' HE1' ' A' ' 88' ' ' HIS . 3.0 mm? -59.1 -43.99 91.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.95 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.562 HG23 ' CE1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -67.03 -41.47 86.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.287 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -53.03 -64.61 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.451 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.779 ' HE1' HD13 ' A' ' 85' ' ' LEU . 5.5 p-80 -62.04 -42.59 99.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.074 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 88' ' ' HIS . 0.8 OUTLIER -58.86 -20.31 49.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.279 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -76.62 -33.51 58.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.868 0.366 . . . . 0.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -54.81 -30.06 56.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.071 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.95 -73.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.8 -78.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -121.45 -178.93 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.8 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.923 0.392 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.69 76.73 1.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.719 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.73 148.85 44.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.042 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -145.31 164.96 29.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.53 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -129.98 153.73 39.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.85 ' O ' HG13 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -134.45 119.01 18.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.307 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -101.74 120.14 6.74 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.968 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -104.44 111.71 24.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 0.0 110.433 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 68.39 33.42 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.53 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.766 HG21 ' CE ' ' A' ' 70' ' ' MET . 9.6 p -151.35 134.33 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.15 116.9 18.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.425 HD11 ' HA3' ' A' ' 7' ' ' GLY . 25.3 mm -72.83 94.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -91.46 134.63 34.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.621 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -37.34 -35.53 0.12 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.071 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -47.21 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.172 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.492 HD21 ' HG2' ' A' ' 70' ' ' MET . 0.2 OUTLIER -59.41 -57.19 14.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 2.3 ptm180 -55.84 -42.38 75.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 1.2 mm-40 -58.53 -45.01 89.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -57.43 -44.71 84.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 16' ' ' LEU . 20.1 t -61.56 -53.13 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 m -63.03 -30.32 71.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -45.98 86.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.602 ' HB3' HG21 ' A' ' 78' ' ' ILE . 9.5 mmtt -67.42 -51.05 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.726 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.7 m-85 -51.93 -46.59 64.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.37 -51.98 55.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.622 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.13 -29.13 43.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 8.1 mp -78.61 -32.24 47.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.457 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -14.94 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.636 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -72.71 -53.0 12.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.733 0.302 . . . . 0.0 110.967 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.9 p90 -95.46 -23.96 16.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.412 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 85' ' ' LEU . 12.0 m-85 -99.14 118.86 36.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.74 -27.74 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -70.48 66.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.1 mt -139.46 111.88 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.95 -58.91 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.84 116.53 21.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.837 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.726 HG11 ' CE1' ' A' ' 24' ' ' PHE . 11.6 t -127.37 134.47 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -129.63 132.87 46.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.704 179.457 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 51' ' ' ASP . 17.2 t -127.26 145.22 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.371 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.85 HG13 ' O ' ' A' ' 6' ' ' THR . 26.6 t -142.82 136.13 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.29 128.77 40.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.704 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -106.58 141.04 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.516 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.599 HG13 ' CE1' ' A' ' 48' ' ' HIS . 22.8 t -120.17 113.66 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.366 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 47' ' ' THR . 8.4 pt-20 -132.72 152.74 51.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.561 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -20.37 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.157 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.2 t -88.24 -84.8 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.418 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 13.1 t -130.09 154.08 47.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.976 0.417 . . . . 0.0 111.582 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.599 ' CE1' HG13 ' A' ' 43' ' ' VAL . 10.6 m170 -94.71 138.1 32.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.231 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.1 m -126.87 130.67 50.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.937 0.399 . . . . 0.0 111.566 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.0 p -130.08 145.32 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.458 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.543 ' O ' HG13 ' A' ' 39' ' ' VAL . 7.4 p30 -127.98 143.04 51.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.18 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.859 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -135.22 110.82 9.2 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.451 HG23 ' CG ' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -112.07 108.2 17.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.112 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.643 HD22 HD11 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -99.21 145.44 27.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -101.0 133.49 45.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 57' ' ' ASN . 21.6 t -132.94 154.56 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.409 ' N ' HG12 ' A' ' 56' ' ' VAL . 79.4 m-20 -69.09 103.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.16 -20.38 30.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.666 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.49 170.93 36.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.606 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -140.56 134.95 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.648 0.261 . . . . 0.0 110.598 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.408 HD11 HG21 ' A' ' 56' ' ' VAL . 3.0 mp -101.83 136.66 32.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 111.2 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.451 ' CG ' HG23 ' A' ' 53' ' ' THR . 3.8 t-160 -133.57 112.56 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.507 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.717 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -137.43 164.12 29.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.876 0.37 . . . . 0.0 111.322 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.7 p -140.61 153.17 45.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.404 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -143.69 134.02 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 111.488 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -104.95 155.44 18.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.585 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.68 167.16 33.57 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.664 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -61.96 -14.76 38.05 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.703 0.261 . . . . 0.0 111.703 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.437 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 0.9 OUTLIER -156.84 176.01 13.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.766 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -63.62 -17.13 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.33 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -87.6 -40.31 14.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.829 0.347 . . . . 0.0 110.804 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.34 92.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.22 -39.64 66.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.0 mm -72.6 -32.52 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.898 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -56.45 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.09 -22.09 78.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.247 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.859 HD11 ' CB ' ' A' ' 52' ' ' ALA . 13.3 tp -73.94 -45.65 49.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.701 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.602 HG21 ' HB3' ' A' ' 23' ' ' LYS . 49.8 mm -79.06 -15.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.09 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.83 -57.22 3.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 110.536 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -65.64 -33.32 75.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -65.36 -47.54 76.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.019 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.68 -56.52 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 111.001 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -51.06 -35.87 36.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.357 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -74.01 -44.48 54.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 110.38 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.689 HD13 ' HE1' ' A' ' 88' ' ' HIS . 0.2 OUTLIER -57.79 -43.04 85.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.485 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.24 99.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.744 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -51.11 -53.45 34.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.77 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.689 ' HE1' HD13 ' A' ' 85' ' ' LEU . 2.5 p-80 -75.45 -20.92 58.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -26.03 67.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.07 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -24.67 62.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.013 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.68 ' HB3' HD12 ' A' ' 92' ' ' LEU . 7.7 tttt -55.28 -30.34 59.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' ' 91' ' ' LYS . 4.8 mp -131.94 83.24 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.44 -45.81 2.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.85 139.54 58.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 72.0 m80 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.144 -0.932 . . . . 0.0 110.929 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.822 0.344 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -112.53 106.23 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.4 pt? -123.37 147.26 47.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -139.51 154.6 47.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.3 mt -117.82 149.43 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.308 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 3.0 m -151.72 118.28 5.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.736 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.43 136.59 12.95 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.511 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -90.53 109.34 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 70.51 41.61 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.528 ' CG2' HG23 ' A' ' 43' ' ' VAL . 6.0 t -151.22 134.54 7.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -88.74 124.27 33.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.966 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -71.77 109.95 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.8 p -114.09 144.93 42.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -33.25 -51.95 0.35 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.33 85.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -56.03 -53.68 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.851 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -67.46 -41.48 84.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.788 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.58 -55.86 23.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.456 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -51.2 -48.78 61.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.088 -179.346 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 16' ' ' LEU . 24.6 t -60.65 -52.57 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.21 0.529 . . . . 0.0 110.364 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -59.85 -23.59 63.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.619 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -55.74 -45.69 77.96 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.792 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.855 ' O ' HD13 ' A' ' 27' ' ' LEU . 15.0 mmtm -72.55 -43.15 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.945 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.587 ' CE1' HG11 ' A' ' 37' ' ' VAL . 5.4 m-85 -62.67 -13.44 32.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.101 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.26 -54.36 5.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.949 0.404 . . . . 0.0 110.32 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -68.0 -15.98 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.942 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.855 HD13 ' O ' ' A' ' 23' ' ' LYS . 10.6 mp -87.58 -37.14 17.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.526 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.28 -15.72 17.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.35 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -55.92 8.58 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.597 0.237 . . . . 0.0 111.16 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.4 p90 -90.22 -23.37 21.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.507 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 18.5 m-30 -93.47 118.79 31.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.806 0.336 . . . . 0.0 110.649 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.08 -31.69 9.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.72 69.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.9 mt -141.08 111.16 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -120.99 -56.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.722 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -127.5 116.55 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.769 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.587 HG11 ' CE1' ' A' ' 24' ' ' PHE . 2.9 t -124.24 135.8 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.54 129.8 41.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.095 0.474 . . . . 0.0 110.948 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.7 t -119.27 146.92 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.032 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.48 ' C ' HD13 ' A' ' 41' ' ' LEU . 21.4 t -144.54 131.13 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-O 121.301 0.572 . . . . 0.0 111.082 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.883 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.51 129.29 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.67 -178.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -107.1 138.27 43.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.326 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.62 HG22 ' CE ' ' A' ' 70' ' ' MET . 39.9 t -117.65 117.66 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.255 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -136.69 152.73 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.655 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -17.59 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.947 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -84.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 m -129.1 152.72 48.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 111.577 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -94.52 137.61 33.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.353 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.4 m -130.94 134.67 46.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.056 0.455 . . . . 0.0 111.719 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.637 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 87.7 p -134.22 147.64 50.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.547 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -136.48 145.25 44.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.444 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -141.17 111.22 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.988 0.423 . . . . 0.0 111.42 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.421 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 4.4 m -105.01 112.04 25.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.51 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.686 HD13 ' CD2' ' A' ' 81' ' ' LEU . 7.1 mp -99.8 145.73 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.928 0.394 . . . . 0.0 111.287 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -94.25 129.09 41.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG12 ' H ' ' A' ' 57' ' ' ASN . 2.7 t -105.55 166.29 3.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.485 ' H ' HG12 ' A' ' 56' ' ' VAL . 52.7 m-20 -46.63 -71.06 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.09 30.46 8.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.246 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.73 177.34 42.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.377 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.59 128.41 21.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.73 0.3 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.724 HD11 ' CE1' ' A' ' 88' ' ' HIS . 14.3 mt -102.09 141.7 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.407 ' CD2' ' OG1' ' A' ' 53' ' ' THR . 5.8 t-160 -133.61 112.48 11.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.828 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.32 149.15 42.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.2 p -142.27 126.34 17.35 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.854 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -136.88 168.6 19.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.307 0.575 . . . . 0.0 112.331 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.2 167.18 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.864 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -154.36 -64.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.183 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -178.04 -20.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -145.99 176.55 9.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.76 0.314 . . . . 0.0 110.522 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.657 ' HG2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.62 -21.55 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.316 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -90.41 -37.75 13.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.205 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.69 78.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.442 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.637 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -53.49 -36.7 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.433 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 78' ' ' ILE . 47.5 mm -77.89 -27.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -56.69 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.49 -34.06 86.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.412 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 81' ' ' LEU . 23.5 tp -73.06 -48.75 33.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.083 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 74' ' ' ILE . 1.6 tp -65.25 -19.33 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.291 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -78.63 -47.67 16.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.024 0.44 . . . . 0.0 110.014 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -64.87 -32.68 74.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.639 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -66.37 -50.93 61.86 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.222 179.8 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.27 -58.73 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -32.3 50.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.45 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -75.65 -46.74 29.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.082 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.777 HD13 ' HE1' ' A' ' 88' ' ' HIS . 3.4 mm? -57.0 -44.17 82.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.7 m -67.83 -39.47 83.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.776 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -54.56 -63.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.777 ' HE1' HD13 ' A' ' 85' ' ' LEU . 3.3 p-80 -67.88 -17.17 64.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 27.4 tttp -80.36 -16.28 54.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.025 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -70.72 -55.39 8.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.0 110.487 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -24.8 18.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.023 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.5 mt -88.84 50.81 2.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.801 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.28 100.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.73 72.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mtm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.806 0.336 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.75 134.1 54.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.549 HD11 HG23 ' A' ' 21' ' ' THR . 1.4 pt? -123.09 149.07 44.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -142.26 159.44 42.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.977 0.417 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.523 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.1 pt -131.5 154.1 39.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.748 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.654 ' O ' HG13 ' A' ' 40' ' ' VAL . 1.5 m -134.88 118.89 17.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.229 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -102.03 123.35 7.85 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.784 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.5 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 8.5 p30 -100.71 110.31 22.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.609 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 65.56 39.29 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.688 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.544 HG21 ' CE ' ' A' ' 70' ' ' MET . 10.6 p -151.09 133.94 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.07 114.86 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.577 HD11 ' HA3' ' A' ' 7' ' ' GLY . 27.6 mm -76.07 94.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p -92.52 137.49 32.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.676 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.73 -32.55 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.959 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.89 -48.08 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.608 HD21 ' HG2' ' A' ' 70' ' ' MET . 0.2 OUTLIER -59.47 -62.5 1.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HB2' HD11 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -51.4 -40.55 59.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -61.61 -42.86 99.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CZ ' ' HE3' ' A' ' 23' ' ' LYS . 70.3 t80 -54.68 -46.43 74.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.66 -48.92 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.549 HG23 HD11 ' A' ' 3' ' ' LEU . 1.8 m -66.69 -30.13 70.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.684 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.65 89.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 46.7 mmtt -66.36 -51.51 56.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.531 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.849 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.9 m-85 -53.23 -45.06 68.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.62 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.97 -53.41 50.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -28.52 51.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.722 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD23 ' HE2' ' A' ' 31' ' ' PHE . 5.4 mp -81.94 -27.57 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.571 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.96 -13.92 40.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.658 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -68.91 -56.38 8.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.446 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 1.4 p90 -88.97 -21.49 23.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.423 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.591 ' HE2' HD23 ' A' ' 27' ' ' LEU . 19.3 m-30 -97.63 118.95 35.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 110.656 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -106.13 -26.28 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.028 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' CB ' HG13 ' A' ' 56' ' ' VAL . 20.7 mmt180 -75.4 64.38 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.409 HD11 ' CB ' ' A' ' 31' ' ' PHE . 25.3 mt -139.15 117.21 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -118.85 -58.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.06 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.49 117.07 21.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 111.035 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.849 HG11 ' CE1' ' A' ' 24' ' ' PHE . 5.9 t -121.89 134.1 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.0 135.53 47.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 110.78 179.425 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' A' ' 5' ' ' ILE . 16.1 t -128.32 146.74 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.252 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 6' ' ' THR . 20.4 t -146.62 130.31 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.77 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.836 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.54 132.99 44.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.807 -178.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.5 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 28.4 ttpt -103.08 137.62 41.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.201 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.491 HG13 ' CE1' ' A' ' 48' ' ' HIS . 21.7 t -115.84 117.16 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.257 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -136.74 152.51 50.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.484 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -53.34 -20.02 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.863 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -85.91 -84.57 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.9 m -129.56 154.22 47.27 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.951 0.405 . . . . 0.0 111.482 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.491 ' CE1' HG13 ' A' ' 43' ' ' VAL . 10.4 m170 -99.27 135.43 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.378 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.0 m -130.57 140.17 50.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.014 0.435 . . . . 0.0 111.494 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.475 ' O ' HD22 ' A' ' 77' ' ' LEU . 44.5 t -139.48 147.42 41.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.914 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.501 ' O ' HG13 ' A' ' 39' ' ' VAL . 34.4 p-10 -126.93 147.3 50.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.688 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.498 ' HB3' HD11 ' A' ' 81' ' ' LEU . . . -142.28 110.28 5.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.447 . . . . 0.0 111.633 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.43 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 36.4 m -108.57 111.42 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.806 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.713 HD13 ' CD2' ' A' ' 81' ' ' LEU . 7.1 mp -100.4 145.63 27.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.282 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -99.45 135.83 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.458 HG13 ' CB ' ' A' ' 33' ' ' ARG . 11.2 t -133.28 150.81 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -64.73 103.84 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.671 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.4 -19.63 39.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.88 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.2 168.92 34.72 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.765 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.91 130.88 26.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 0.0 110.704 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.47 140.05 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.251 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -133.24 112.19 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.575 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.81 153.63 46.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.345 . . . . 0.0 111.349 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 81.3 p -142.05 126.44 17.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -131.59 169.24 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.123 0.487 . . . . 0.0 112.161 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.96 163.17 33.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.225 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.35 -69.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.1 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -178.73 -21.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.484 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -146.47 176.49 9.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.827 0.346 . . . . 0.0 110.738 179.819 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.608 ' HG2' HD21 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -62.28 -21.84 65.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.338 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -90.96 -37.89 13.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.078 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.484 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -63.7 -48.61 76.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.265 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.51 -32.15 38.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.319 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.5 mm -79.35 -30.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -57.06 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.076 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.22 -37.88 91.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.552 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.89 ' O ' HD12 ' A' ' 81' ' ' LEU . 17.8 tp -67.8 -47.43 69.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.357 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.53 -15.02 18.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -52.95 9.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.003 0.43 . . . . 0.0 110.165 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -61.78 -38.45 88.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.849 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.89 HD12 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -60.8 -45.16 95.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.27 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.8 -62.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -51.79 -33.89 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.748 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -75.15 -44.22 48.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 111.068 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -59.61 -42.17 92.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.03 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -40.14 85.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -53.7 -64.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.296 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.457 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 3.1 p-80 -62.44 -30.27 71.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.503 ' HA ' HD12 ' A' ' 92' ' ' LEU . 13.5 mttp -69.69 -17.72 63.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.343 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -75.27 -33.0 61.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.855 0.359 . . . . 0.0 110.619 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -61.99 -30.98 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.744 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -91.68 47.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.048 -179.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -140.03 30.03 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.97 30.79 2.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.82 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.7 mtm . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.766 0.317 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.13 -69.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.995 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.716 HD11 HG23 ' A' ' 21' ' ' THR . 1.8 pt? -119.94 141.22 49.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -137.41 149.55 47.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.2 mt -119.35 151.29 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.521 ' HB ' HG22 ' A' ' 40' ' ' VAL . 37.5 m -118.36 119.24 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.9 109.81 3.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.619 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -116.94 109.27 16.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.741 0.305 . . . . 0.0 110.473 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.4 t30 58.81 31.05 20.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.641 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.755 HG21 ' CE ' ' A' ' 70' ' ' MET . 9.2 p -151.6 135.75 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -83.64 115.67 22.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.2 mm -70.11 109.43 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 p -104.69 137.34 42.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -34.79 -43.8 0.19 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.239 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.29 -47.58 83.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.561 HD11 ' HG2' ' A' ' 70' ' ' MET . 0.1 OUTLIER -58.91 -64.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -52.98 -43.83 66.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -56.84 -46.03 81.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -57.4 -44.54 84.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.7 -58.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.716 HG23 HD11 ' A' ' 3' ' ' LEU . 21.2 m -59.17 -30.23 68.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.78 87.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.605 ' HB3' HG21 ' A' ' 78' ' ' ILE . 13.2 mmtt -69.86 -49.0 56.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.683 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -51.74 -49.76 61.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.04 -51.22 62.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -29.72 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.961 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.601 HD23 ' CE2' ' A' ' 31' ' ' PHE . 4.8 mp -77.12 -31.29 55.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 110.564 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HG2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -61.1 -14.38 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.413 179.665 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -72.05 -58.4 3.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.695 0.283 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.3 p90 -86.93 -22.99 25.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.462 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.601 ' CE2' HD23 ' A' ' 27' ' ' LEU . 20.9 m-30 -98.93 118.9 36.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.358 . . . . 0.0 110.659 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.21 4.21 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.485 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -106.92 65.75 0.67 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.935 0.398 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.404 HD12 ' HG2' ' A' ' 28' ' ' GLU . 24.5 mt -138.94 108.42 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -108.49 -56.67 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.992 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -129.6 124.69 34.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -132.7 136.9 55.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.851 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -133.19 143.98 49.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 51' ' ' ASP . 18.6 t -135.9 144.81 32.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.306 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.521 HG22 ' HB ' ' A' ' 6' ' ' THR . 18.3 t -139.11 132.39 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.791 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.855 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.31 126.53 35.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.912 -178.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 31.0 ttpt -105.78 145.63 30.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.278 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.585 HG13 ' CE1' ' A' ' 48' ' ' HIS . 21.7 t -123.42 107.58 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.253 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 47' ' ' THR . 5.9 pt-20 -125.08 152.61 44.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -17.79 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.958 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -85.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 5.6 m -129.04 150.52 50.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.895 0.378 . . . . 0.0 111.513 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.585 ' CE1' HG13 ' A' ' 43' ' ' VAL . 24.0 m-70 -88.06 137.82 32.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.486 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.0 m -125.34 132.01 52.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 111.711 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.786 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 33.3 p -137.07 138.09 40.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.435 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.561 ' O ' HG13 ' A' ' 39' ' ' VAL . 54.2 p-10 -128.02 151.3 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.969 0.414 . . . . 0.0 111.321 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.943 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -138.81 140.27 38.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.937 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.9 109.17 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.498 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.624 HD11 ' HG ' ' A' ' 81' ' ' LEU . 2.0 mp -102.76 145.46 29.69 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.882 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.14 136.47 43.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.953 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.678 HG11 ' CE1' ' A' ' 88' ' ' HIS . 28.5 m -139.9 159.65 26.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -72.77 103.77 3.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.52 -21.35 7.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.76 -173.45 42.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -140.32 133.02 28.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.802 0.334 . . . . 0.0 110.813 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.657 HD11 ' ND1' ' A' ' 88' ' ' HIS . 3.7 mt -101.99 137.28 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.945 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -133.67 111.96 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.535 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . . . -121.18 156.57 32.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.007 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.81 147.73 39.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.084 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -149.23 169.38 20.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.114 0.483 . . . . 0.0 111.664 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.75 161.08 38.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.288 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA3' ' HB3' ' A' ' 72' ' ' ALA . . . -159.81 170.66 36.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.806 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -65.15 -12.0 46.36 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -156.85 176.37 12.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.656 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.755 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -64.52 -16.02 61.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.366 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -88.93 -40.44 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -62.38 -46.58 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.786 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -53.17 -39.36 63.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.367 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mm -71.67 -31.8 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -65.22 -56.97 9.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.89 -30.18 75.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.402 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.871 ' O ' HD13 ' A' ' 81' ' ' LEU . 17.2 tp -72.26 -49.61 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.605 HG21 ' HB3' ' A' ' 23' ' ' LYS . 34.7 mm -67.37 -17.07 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.96 -53.07 9.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.041 0.448 . . . . 0.0 109.849 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -59.55 -38.04 80.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.635 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.943 HD21 ' HB1' ' A' ' 52' ' ' ALA . 10.8 mp -58.39 -52.44 65.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.9 -60.15 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -34.52 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -74.4 -46.5 39.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.725 HD13 ' HE1' ' A' ' 88' ' ' HIS . 3.1 mm? -57.61 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.8 m -61.88 -44.83 96.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -64.46 0.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.496 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.725 ' HE1' HD13 ' A' ' 85' ' ' LEU . 2.0 p-80 -65.58 -28.06 68.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -21.3 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.12 -31.54 64.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -49.45 -27.77 4.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.208 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.555 ' H ' HD12 ' A' ' 92' ' ' LEU . 2.8 mp -91.3 56.23 3.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.93 -170.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -128.03 32.18 4.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.905 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.722 0.296 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.42 96.11 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.587 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.2 pt? -69.27 156.82 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -131.21 150.83 51.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.277 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.3 mt -109.78 144.44 17.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.971 0.415 . . . . 0.0 111.657 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -140.97 118.74 11.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.808 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.56 151.3 17.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.445 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -125.19 109.1 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 68.68 36.35 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.821 HG21 ' CE ' ' A' ' 70' ' ' MET . 13.1 p -152.88 139.6 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.017 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.85 122.31 33.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 111.21 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.4 mm -74.34 117.55 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -110.25 137.12 48.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -34.73 -44.53 0.22 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.193 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.74 -47.58 71.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.543 HD11 ' HG2' ' A' ' 70' ' ' MET . 1.3 tp -55.92 -67.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.731 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -39.26 9.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.597 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.72 -46.36 84.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.606 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -56.52 -46.69 80.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 t -60.09 -52.62 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.72 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 m -61.46 -30.96 70.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.606 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.8 82.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.813 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.5 mmtt -60.18 -59.83 4.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.655 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.677 ' CE1' HG11 ' A' ' 37' ' ' VAL . 11.4 m-85 -52.74 -42.84 65.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.41 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.64 -54.62 25.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.588 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -29.65 49.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.525 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 4.4 mp -79.02 -26.33 43.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.469 ' HG2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -67.3 -14.77 63.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.105 179.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -73.03 -61.02 1.96 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 1.8 p90 -80.93 -26.86 36.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.503 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 85' ' ' LEU . 3.5 m-85 -117.27 119.91 36.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 111.258 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -107.96 1.45 22.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.412 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -82.1 59.49 4.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.484 HG23 ' CG2' ' A' ' 37' ' ' VAL . 17.3 mt -133.97 112.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.06 -59.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -125.56 116.97 22.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.803 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.677 HG11 ' CE1' ' A' ' 24' ' ' PHE . 21.4 t -128.68 134.56 64.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -130.63 141.36 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.555 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 51' ' ' ASP . 15.4 t -135.82 144.23 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.536 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.495 ' C ' HD13 ' A' ' 41' ' ' LEU . 17.5 t -137.57 133.92 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.803 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.848 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.27 123.66 28.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.454 -0.793 . . . . 0.0 111.786 -178.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -100.73 142.4 32.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.335 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.15 105.74 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.399 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 47' ' ' THR . 6.9 pt-20 -123.96 152.37 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.542 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -52.66 -21.44 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.821 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.427 HG12 ' OG1' ' A' ' 47' ' ' THR . 48.8 t -84.67 -84.82 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.427 ' OG1' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -129.26 151.69 49.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.913 0.387 . . . . 0.0 111.309 -179.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 6.3 m170 -93.87 131.25 39.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.297 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.9 m -120.61 140.66 51.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.986 0.422 . . . . 0.0 111.774 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.483 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 19.8 p -138.66 143.15 39.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.509 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.613 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.5 p30 -128.69 147.03 50.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.932 0.396 . . . . 0.0 111.32 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.892 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -134.47 141.05 46.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.086 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.76 105.26 4.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.662 HD12 HD12 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -98.55 143.24 29.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.54 117.08 29.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 60' ' ' GLU . 1.9 t -90.3 168.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.519 ' H ' HG12 ' A' ' 56' ' ' VAL . 4.5 m120 -47.65 -56.27 7.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.4 -48.53 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.571 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.29 -171.04 34.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.721 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.521 ' HA ' HG23 ' A' ' 56' ' ' VAL . 67.7 mt-10 -141.3 138.01 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.688 0.28 . . . . 0.0 110.844 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.811 HD11 ' CE1' ' A' ' 88' ' ' HIS . 3.2 mt -101.15 134.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -134.32 112.19 10.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.64 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.718 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -136.76 165.65 25.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 111.084 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 2.0 p -140.68 153.56 46.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -142.23 156.88 45.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.944 0.402 . . . . 0.0 111.411 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -130.95 157.49 42.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.52 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.52 172.68 37.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.768 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.76 -12.62 25.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.442 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 6.0 p-10 -157.98 176.15 12.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.623 0.249 . . . . 0.0 110.558 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.821 ' CE ' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -59.61 -52.53 65.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.823 0.344 . . . . 0.0 110.819 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -55.93 -41.94 75.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.58 73.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 50' ' ' SER . . . -49.81 -31.06 10.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.23 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 mm -74.81 -37.97 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.687 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.61 -56.79 16.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.24 -28.72 73.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.206 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.892 HD11 ' HB3' ' A' ' 52' ' ' ALA . 12.2 tp -67.19 -42.65 83.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.05 0.452 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.8 mm -79.7 -16.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.962 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.61 -60.47 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.528 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -64.2 -33.97 77.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.672 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.883 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -60.23 -49.61 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.97 71.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.746 0.307 . . . . 0.0 110.685 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -42.42 48.46 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.068 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -70.69 -38.24 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.035 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.5 mm? -58.39 -42.89 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.693 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -41.57 96.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.233 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -57.15 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.237 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.811 ' CE1' HD11 ' A' ' 61' ' ' ILE . 3.1 p-80 -74.35 -25.29 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.538 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' CE ' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -69.71 -19.42 63.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.484 -179.516 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.49 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 110.437 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -53.93 -26.69 26.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.028 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mp -125.43 31.28 5.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.07 143.99 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.51 64.24 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.894 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.45 ' O ' ' HB2' ' A' ' 2' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.696 0.284 . . . . 0.0 111.164 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 1' ' ' MET . 2.0 tp-100 175.61 32.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.076 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.44 HD23 ' H ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -96.4 133.05 41.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.841 0.353 . . . . 0.0 110.76 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -134.45 141.0 46.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.025 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mt -117.23 151.11 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.776 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.668 ' HB ' HG13 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -119.18 118.97 32.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.318 179.589 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.54 110.89 4.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.923 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -111.68 109.05 18.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.207 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 t30 64.39 32.66 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.962 0.41 . . . . 0.0 110.432 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.732 HG11 ' HE1' ' A' ' 70' ' ' MET . 21.8 t -151.56 136.03 9.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.005 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -84.22 118.09 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mm -65.98 103.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -100.21 132.8 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -36.45 -39.46 0.2 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.2 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 18' ' ' GLU . . . -67.55 -47.25 70.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 111.211 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.648 HD21 ' HG2' ' A' ' 70' ' ' MET . 0.3 OUTLIER -64.0 -50.71 67.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.303 -179.7 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -46.17 82.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.62 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -62.48 -37.97 88.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.624 0.249 . . . . 0.0 110.691 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 80.1 t80 -57.58 -46.72 83.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.823 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 16' ' ' LEU . 20.0 t -59.59 -48.85 85.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.724 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 m -64.39 -30.19 71.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.611 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -55.57 -45.29 77.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HB3' HG21 ' A' ' 78' ' ' ILE . 5.7 mttt -69.31 -47.57 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.64 ' HE1' HG11 ' A' ' 37' ' ' VAL . 2.3 m-85 -53.11 -48.61 67.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.87 -51.5 60.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.732 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -29.85 29.47 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.466 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -77.49 -32.06 53.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.976 0.417 . . . . 0.0 110.463 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -14.92 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.834 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.6 -55.23 9.3 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.671 0.272 . . . . 0.0 110.885 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.466 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -99.76 2.34 44.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.834 -179.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 86' ' ' THR . 20.8 m-85 -124.79 118.12 25.67 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.896 0.379 . . . . 0.0 110.72 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -108.7 -28.8 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -68.51 70.11 0.17 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.12 116.12 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 2' ' ' GLN . 0.6 OUTLIER -111.09 -61.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.875 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -128.6 125.29 37.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.77 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.64 HG11 ' HE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -125.27 136.11 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.472 -179.697 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -131.82 132.44 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 51' ' ' ASP . 19.9 t -126.57 146.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.281 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.668 HG13 ' HB ' ' A' ' 6' ' ' THR . 20.2 t -144.13 132.64 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.548 . . . . 0.0 111.418 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.853 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.48 126.12 34.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.362 -179.342 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -108.29 147.42 31.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.623 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.647 HG23 HG21 ' A' ' 10' ' ' VAL . 50.1 t -125.72 108.65 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 47' ' ' THR . 6.4 pt-20 -124.83 153.07 43.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.616 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -17.25 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.933 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -85.59 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.413 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -129.13 150.93 50.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.852 0.358 . . . . 0.0 111.518 -179.579 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -87.83 141.39 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.493 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -129.92 129.95 44.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.866 0.365 . . . . 0.0 111.703 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.626 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 96.9 p -135.26 137.59 42.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.296 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.495 ' O ' HG13 ' A' ' 39' ' ' VAL . 2.9 p30 -129.16 151.77 49.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.056 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.644 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -146.22 110.12 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.017 0.437 . . . . 0.0 111.211 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.418 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.5 m -106.67 112.31 25.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.044 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.668 HD13 ' CD2' ' A' ' 81' ' ' LEU . 7.7 mp -100.7 145.67 28.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -95.99 129.37 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' ' 57' ' ' ASN . 2.2 t -110.41 168.66 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.541 ' H ' HG12 ' A' ' 56' ' ' VAL . 19.4 m120 -45.41 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.385 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -112.13 27.98 9.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.391 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.33 171.37 37.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.419 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -140.26 128.92 23.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 88' ' ' HIS . 10.8 mt -103.83 139.8 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -133.01 112.48 11.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.772 ' HB1' ' HD2' ' A' ' 80' ' ' LYS . . . -117.59 151.18 37.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.928 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.42 119.24 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.224 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.869 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -124.53 170.79 10.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.967 0.413 . . . . 0.0 111.721 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.31 161.36 37.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.474 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.58 169.89 35.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.718 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -64.38 -13.54 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.371 0.137 . . . . 0.0 111.371 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -153.46 176.15 12.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 110.725 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.732 ' HE1' HG11 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -65.57 -16.85 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.444 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -90.48 -37.88 13.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.89 80.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.626 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -54.01 -36.5 63.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.285 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.3 mm -75.58 -27.81 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -55.94 11.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.51 -27.47 72.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.341 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.906 ' O ' HD12 ' A' ' 81' ' ' LEU . 3.8 tt -74.71 -52.14 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.531 ' N ' HD23 ' A' ' 77' ' ' LEU . 22.7 mm -70.19 -15.2 18.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.895 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -53.0 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.436 . . . . 0.0 110.228 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.772 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 2.3 ptpt -62.48 -35.09 78.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.771 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.906 HD12 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -63.93 -48.9 74.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.215 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.08 -60.66 3.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.233 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -52.69 -33.68 48.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.777 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -46.1 35.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.358 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.742 HD13 ' HE1' ' A' ' 88' ' ' HIS . 2.3 mm? -58.97 -43.49 91.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.692 HG23 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -64.83 -40.34 95.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.006 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -62.05 1.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.564 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.742 ' HE1' HD13 ' A' ' 85' ' ' LEU . 2.7 p-80 -67.19 -38.29 85.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.551 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.461 ' N ' ' CD2' ' A' ' 88' ' ' HIS . 3.3 tmtm? -62.25 -19.22 62.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.631 0.253 . . . . 0.0 111.303 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.68 -36.82 73.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.393 . . . . 0.0 110.771 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -43.6 84.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.7 mp -100.6 79.69 2.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -81.68 -49.93 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.87 98.97 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.88 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.0 mtt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.75 0.31 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.72 -161.57 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.57 140.52 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 110.765 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -141.72 159.62 41.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.474 HG22 ' HB ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -128.52 154.04 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.762 179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.806 ' O ' HG13 ' A' ' 40' ' ' VAL . 20.5 m -141.65 118.9 11.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.124 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -100.99 131.71 10.67 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.818 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 8' ' ' ASN . 2.4 p30 -108.7 116.18 31.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 110.568 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 68.89 33.42 3.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.773 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.916 HG21 ' CE ' ' A' ' 70' ' ' MET . 13.1 p -152.06 135.94 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.9 120.48 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.404 HD11 ' HA3' ' A' ' 7' ' ' GLY . 21.9 mm -82.75 94.17 3.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.016 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.0 p -98.38 147.1 25.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.77 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -39.09 -33.4 0.13 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.876 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -47.08 73.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.061 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.924 HD11 ' HG2' ' A' ' 70' ' ' MET . 2.2 tp -56.98 -66.76 0.4 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 -47.19 -40.03 15.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.806 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.24 -52.06 65.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.547 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 45.2 t80 -49.28 -49.65 42.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.134 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 t -60.53 -51.21 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.421 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -62.11 -23.65 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.605 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -53.99 -45.97 71.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.791 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' HD13 ' A' ' 27' ' ' LEU . 32.4 mmtt -76.29 -46.46 27.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.894 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.693 ' CE2' HG11 ' A' ' 37' ' ' VAL . 4.5 m-85 -56.95 -13.34 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.211 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 -49.52 9.41 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.012 0.434 . . . . 0.0 109.92 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -15.63 62.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.117 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.582 HD23 ' HE2' ' A' ' 31' ' ' PHE . 6.0 mp -87.85 -42.83 12.27 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.779 0.323 . . . . 0.0 110.667 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.08 -15.48 9.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.312 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.55 -53.4 16.23 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.746 0.307 . . . . 0.0 110.844 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.493 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 3.1 p90 -95.83 2.29 53.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.574 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.701 ' HB3' HD11 ' A' ' 34' ' ' ILE . 10.9 m-30 -115.04 118.87 34.61 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.758 0.313 . . . . 0.0 110.461 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.27 -29.86 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.001 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.1 mtt-85 -77.38 64.04 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.701 HD11 ' HB3' ' A' ' 31' ' ' PHE . 30.3 mt -136.51 124.06 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -124.96 -61.75 1.28 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.169 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -129.56 116.89 19.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.216 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.693 HG11 ' CE2' ' A' ' 24' ' ' PHE . 3.6 t -122.7 135.47 62.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.755 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.471 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -130.11 127.56 40.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.025 0.441 . . . . 0.0 111.165 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.3 t -122.46 146.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.002 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 6' ' ' THR . 24.6 t -144.52 134.63 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.219 0.533 . . . . 0.0 110.755 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.841 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.16 131.69 44.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.604 -179.01 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -106.7 136.45 46.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.578 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.706 HG13 ' CE1' ' A' ' 48' ' ' HIS . 21.9 t -117.47 117.5 55.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.052 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -136.31 152.69 50.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -51.9 -20.6 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.01 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.59 -84.93 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 m -129.18 154.53 46.67 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.016 0.436 . . . . 0.0 111.469 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.706 ' CE1' HG13 ' A' ' 43' ' ' VAL . 11.5 m-70 -98.89 136.46 38.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.452 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.8 m -129.56 139.24 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 111.467 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.7 p -133.25 147.38 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.759 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.714 ' O ' HG13 ' A' ' 39' ' ' VAL . 1.6 p30 -129.89 148.27 51.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.603 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.692 ' HB2' HD11 ' A' ' 77' ' ' LEU . . . -141.04 114.01 8.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.937 0.399 . . . . 0.0 111.628 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.434 HG23 ' CG ' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -109.23 107.61 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.692 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 81' ' ' LEU . 8.5 mp -100.71 146.36 27.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 111.439 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -106.69 134.72 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.901 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 m -141.46 117.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.24 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.5 m120 40.61 -95.02 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.773 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.78 31.85 4.63 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.571 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.29 155.69 23.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.19 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -134.98 117.72 16.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 111.193 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -102.37 138.38 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.429 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.434 ' CG ' HG23 ' A' ' 53' ' ' THR . 5.2 t-160 -133.59 112.21 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.331 . . . . 0.0 111.04 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.881 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -124.69 155.28 39.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.863 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -140.83 123.9 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.652 ' HB2' ' HE2' ' A' ' 80' ' ' LYS . . . -121.37 153.05 38.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.113 0.482 . . . . 0.0 111.987 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -130.86 157.43 42.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.033 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.96 -67.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.067 -1.063 . . . . 0.0 113.169 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -177.47 -24.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.639 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 4.0 p30 -147.77 176.6 9.99 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.924 ' HG2' HD11 ' A' ' 16' ' ' LEU . 7.4 tpp -53.6 -56.32 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.788 0.328 . . . . 0.0 111.21 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -59.21 -38.12 79.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.243 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.639 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -60.65 -53.04 62.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.388 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.62 -31.68 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.4 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.9 mm -78.72 -23.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.231 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -52.22 12.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.873 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.82 -37.01 88.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.239 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -68.01 -41.91 81.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.054 0.454 . . . . 0.0 110.625 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.584 ' N ' HD23 ' A' ' 77' ' ' LEU . 23.2 mm -76.47 -15.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.078 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.12 -53.38 7.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.652 ' HE2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -73.74 -25.46 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.953 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.881 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -70.45 -50.6 36.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.837 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.11 61.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -54.38 -34.53 61.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.438 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -76.54 -46.25 27.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.028 0.442 . . . . 0.0 110.729 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.51 HD13 ' HE1' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -56.52 -44.32 80.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.912 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -37.06 82.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -62.2 1.77 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.682 ' O ' HD12 ' A' ' 92' ' ' LEU . 3.7 p-80 -62.84 -29.35 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 1.1 tttt -68.89 -16.86 63.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.248 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.75 -28.66 30.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.769 0.319 . . . . 0.0 110.828 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -66.66 -48.79 68.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 88' ' ' HIS . 1.3 mp -75.6 63.19 1.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm -122.23 139.22 54.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.802 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.94 105.02 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 m80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.889 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.857 0.361 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 61.38 157.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.05 148.27 45.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -141.16 158.01 44.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.584 HG22 ' HB ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -132.89 154.15 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.478 ' O ' HG13 ' A' ' 40' ' ' VAL . 20.3 m -140.56 118.95 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.987 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.64 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -99.02 133.66 11.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.061 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' HB2' ' A' ' 42' ' ' LYS . 11.6 p30 -107.51 116.84 32.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.693 0.282 . . . . 0.0 110.378 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.1 t30 62.02 37.62 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.575 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.551 HG11 HD23 ' A' ' 41' ' ' LEU . 9.4 p -151.37 133.33 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.965 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.72 118.42 15.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.809 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.64 HD11 ' HA3' ' A' ' 7' ' ' GLY . 26.1 mm -82.95 94.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -96.04 143.91 26.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -38.23 -33.93 0.11 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.042 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.24 -46.87 72.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.203 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -57.29 -66.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -48.89 -40.07 28.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.02 -51.65 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -49.67 -48.55 49.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.8 -53.41 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.7 m -60.06 -30.64 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.83 88.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' O ' HD13 ' A' ' 27' ' ' LEU . 15.5 mmtt -65.39 -55.8 16.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.612 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.862 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 6.1 m-85 -48.1 -46.19 33.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.21 -55.63 17.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -26.52 53.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 10.8 mp -82.89 -26.04 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 110.829 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -13.17 35.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -72.6 -50.42 25.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.628 0.252 . . . . 0.0 111.331 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -98.59 -25.53 14.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.757 -179.509 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CD2' HD22 ' A' ' 85' ' ' LEU . 20.5 m-30 -95.56 117.8 31.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.43 -7.29 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.48 47.97 1.49 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.81 0.338 . . . . 0.0 111.268 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' A' ' 31' ' ' PHE . 6.1 mt -133.85 107.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.737 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.65 -54.24 2.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.97 116.51 21.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.862 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 2.7 t -126.69 134.35 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.476 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -128.88 127.3 41.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.581 179.423 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 51' ' ' ASP . 11.4 t -122.05 145.88 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.422 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 6' ' ' THR . 24.0 t -140.47 134.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.621 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.36 128.53 39.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.799 -178.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.453 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 4.3 ttpt -101.38 128.6 47.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.174 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.414 HG21 ' CG2' ' A' ' 10' ' ' VAL . 38.5 t -113.05 110.44 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.512 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 47' ' ' THR . 10.2 pt-20 -133.33 152.41 51.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.459 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -53.51 -20.57 5.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.893 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.16 -84.98 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 31.1 m -129.06 153.76 47.32 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.816 0.341 . . . . 0.0 111.314 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 5.3 m-70 -102.33 133.87 46.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.733 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -124.32 141.75 51.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.147 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.811 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 34.0 p -138.43 147.06 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.666 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.4 p30 -135.74 146.91 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.72 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.722 ' CB ' HD21 ' A' ' 77' ' ' LEU . . . -145.14 110.6 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 111.752 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.416 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.3 m -104.2 114.08 28.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.714 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.806 ' CD2' HD11 ' A' ' 85' ' ' LEU . 9.2 mp -99.49 145.65 27.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.0 0.429 . . . . 0.0 111.217 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -91.33 125.15 36.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.96 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 60' ' ' GLU . 2.1 t -103.55 168.78 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.539 ' H ' HG12 ' A' ' 56' ' ' VAL . 20.0 m-20 -46.33 -62.27 1.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.482 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.59 -53.4 1.06 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.801 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.59 -167.28 31.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.719 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.551 ' HA ' HG23 ' A' ' 56' ' ' VAL . 63.0 mt-10 -140.68 135.21 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.7 0.286 . . . . 0.0 110.668 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.3 mt -101.52 140.45 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.038 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.402 ' CB ' HG23 ' A' ' 53' ' ' THR . 7.8 t-160 -132.98 112.31 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.715 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -125.26 154.18 42.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -140.68 149.63 42.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.61 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.834 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -145.46 163.68 33.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 111.235 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -135.93 158.84 43.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.779 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.26 169.54 34.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.67 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -53.22 -18.26 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.419 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 3.9 p-10 -153.25 173.81 15.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.723 0.297 . . . . 0.0 110.651 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -58.0 -53.99 52.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.813 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.725 ' CE1' HD22 ' A' ' 16' ' ' LEU . 41.0 m-85 -56.43 -40.06 74.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.01 71.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.811 ' HB1' ' OG ' ' A' ' 50' ' ' SER . . . -51.11 -31.81 20.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.205 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 78' ' ' ILE . 43.6 mm -75.45 -33.41 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.465 ' O ' HG22 ' A' ' 78' ' ' ILE . 7.7 t0 -64.88 -57.08 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.24 93.67 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.834 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 8.6 tt -69.59 -41.62 75.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.821 0.343 . . . . 0.0 111.326 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -71.95 -20.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.553 -179.66 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -79.72 -50.42 10.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -68.52 -33.45 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.788 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.773 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -65.17 -47.9 75.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.406 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -57.22 -55.8 30.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.878 0.37 . . . . 0.0 110.763 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -52.62 -31.99 39.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -40.16 69.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.017 0.437 . . . . 0.0 110.605 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.806 HD11 ' CD2' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -59.64 -40.22 86.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.741 179.677 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -66.94 -39.37 87.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.688 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.273 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.449 ' CE1' ' HA ' ' A' ' 85' ' ' LEU . 8.3 p-80 -64.28 -26.4 68.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.239 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -14.82 60.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.558 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -81.8 -32.16 31.45 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' A' ' 88' ' ' HIS . 3.4 mttp -53.26 -51.99 60.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.58 -30.98 67.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.72 165.98 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -159.57 32.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.943 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -106.84 89.14 2.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.674 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.6 pt? -122.82 148.02 45.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -141.15 159.12 42.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.6 mt -124.26 153.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.835 ' O ' HG13 ' A' ' 40' ' ' VAL . 51.2 m -139.3 121.48 15.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.238 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.31 124.41 7.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.09 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.1 p30 -94.02 115.28 27.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 1.1 t30 86.53 -43.96 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.252 -178.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.592 HG22 ' N ' ' A' ' 11' ' ' GLU . 15.0 p -95.54 169.44 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.687 -179.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.592 ' N ' HG22 ' A' ' 10' ' ' VAL . 1.3 pm0 -110.5 147.67 33.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.846 0.355 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.8 mm -76.39 101.6 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.717 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.4 p -93.54 140.0 30.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -36.29 -37.82 0.13 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.171 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -68.98 -47.29 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.3 tp -62.29 -46.65 87.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.254 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -70.03 -44.36 69.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.485 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 10.5 pt-20 -63.79 -47.67 79.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.734 0.302 . . . . 0.0 110.849 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -54.39 -47.74 72.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 16' ' ' LEU . 39.6 t -60.81 -48.03 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 m -65.44 -34.23 77.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.409 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.27 -43.82 79.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.784 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HB3' HG12 ' A' ' 78' ' ' ILE . 13.5 mmtt -65.05 -52.14 57.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.303 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.711 ' CZ ' HG11 ' A' ' 37' ' ' VAL . 5.7 m-85 -49.76 -42.45 46.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.696 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.52 -50.52 62.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.954 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -28.78 67.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.692 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.572 HD21 ' HB2' ' A' ' 82' ' ' ALA . 9.3 mp -82.68 -22.02 34.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.937 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -66.78 -12.43 58.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.677 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -68.07 -45.94 72.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.67 0.272 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.508 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -107.75 2.29 23.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.84 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.487 ' HB3' HD11 ' A' ' 34' ' ' ILE . 18.2 m-30 -111.88 118.57 35.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.51 -31.03 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -77.78 76.66 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.067 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.487 HD11 ' HB3' ' A' ' 31' ' ' PHE . 28.9 mt -144.14 114.07 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.49 -62.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.125 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.09 116.9 21.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 111.127 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.711 HG11 ' CZ ' ' A' ' 24' ' ' PHE . 13.9 t -125.53 134.28 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.65 142.92 49.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 0.0 110.837 179.683 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 51' ' ' ASP . 8.2 t -134.19 146.52 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.15 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 6' ' ' THR . 22.3 t -141.58 135.56 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.142 0.496 . . . . 0.0 111.062 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.85 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.35 128.08 38.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.741 -179.031 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -101.93 136.57 41.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.416 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.423 HG21 ' HE1' ' A' ' 70' ' ' MET . 21.5 t -117.98 109.99 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.175 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -130.16 152.75 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -20.38 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.892 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.7 t -86.48 -85.93 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.9 m -129.11 154.21 46.92 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.998 0.428 . . . . 0.0 111.379 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -97.0 134.18 40.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.533 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 m -123.96 141.48 52.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.917 0.389 . . . . 0.0 111.287 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.586 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 27.1 p -138.31 147.28 43.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.948 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.689 ' O ' HG13 ' A' ' 39' ' ' VAL . 11.8 p30 -131.67 148.95 52.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.782 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.779 ' HB2' HD21 ' A' ' 77' ' ' LEU . . . -142.17 110.33 5.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.914 0.387 . . . . 0.0 111.501 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.408 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 1.2 m -108.74 109.31 20.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.56 HD13 HD12 ' A' ' 81' ' ' LEU . 9.1 mp -98.37 145.95 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.194 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -99.18 126.7 45.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.85 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 57' ' ' ASN . 2.5 t -103.94 166.41 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.492 ' H ' HG12 ' A' ' 56' ' ' VAL . 5.9 m-20 -47.0 -67.07 0.31 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.231 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.99 27.1 8.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.417 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -162.22 172.9 38.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -138.46 124.91 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mt -102.49 139.48 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.649 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -133.24 112.18 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.25 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.741 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -121.13 153.12 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.604 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.2 p -140.9 120.88 13.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.759 0.314 . . . . 0.0 110.749 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -117.53 163.71 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.156 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.23 157.9 45.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.15 164.47 31.9 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.673 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -59.51 -17.2 29.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.579 0.228 . . . . 0.0 111.504 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' H ' ' HB3' ' A' ' 72' ' ' ALA . 3.9 p-10 -151.46 176.43 11.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 110.691 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.423 ' HE1' HG21 ' A' ' 43' ' ' VAL . 2.2 tpp -57.81 -56.5 21.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -56.16 -36.81 68.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.984 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.444 ' HB3' ' H ' ' A' ' 69' ' ' ASP . . . -62.39 -49.2 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 110.987 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 50' ' ' SER . . . -52.66 -32.86 44.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.264 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 78' ' ' ILE . 47.4 mm -78.0 -28.79 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -55.65 14.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.83 -33.17 74.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.889 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 48.2 tp -73.56 -34.61 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 111.189 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 74' ' ' ILE . 2.6 tp -82.44 -16.61 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.5 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.05 -49.41 8.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.903 0.383 . . . . 0.0 110.34 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -69.54 -33.45 72.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.472 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.741 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -67.37 -50.58 59.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.013 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -56.48 -52.32 65.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 110.918 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -55.41 -33.61 63.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.309 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -76.29 -48.77 18.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 81' ' ' LEU . 3.4 mm? -57.12 -40.19 76.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.746 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -69.47 -38.52 77.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.0 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -53.12 -63.52 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.992 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.544 ' HE1' HD13 ' A' ' 85' ' ' LEU . 10.9 p-80 -64.56 -26.74 68.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -18.44 63.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.366 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.53 -27.37 37.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.912 0.387 . . . . 0.0 111.035 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -56.64 -40.47 75.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mp -97.45 37.65 1.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -148.8 31.45 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -76.71 -29.63 56.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.916 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mmt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.794 0.33 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 0.8 OUTLIER -107.35 -88.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 179.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.712 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.6 pt? -123.93 142.97 50.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -133.08 146.0 51.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.3 mt -106.16 142.47 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.988 0.423 . . . . 0.0 111.395 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.593 ' O ' HG13 ' A' ' 40' ' ' VAL . 2.2 m -149.04 118.23 6.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.69 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.62 168.47 12.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.231 -0.985 . . . . 0.0 113.566 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.95 109.14 12.62 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 69.27 42.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.949 0.404 . . . . 0.0 110.202 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.534 HG21 ' CD2' ' A' ' 41' ' ' LEU . 2.8 m -150.46 133.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.456 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.13 118.42 24.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.631 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.486 HD13 HD23 ' A' ' 16' ' ' LEU . 18.6 mm -82.36 103.37 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -104.29 155.32 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -33.52 -52.91 0.41 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.259 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.82 84.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.323 . . . . 0.0 111.066 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 20' ' ' VAL . 4.6 tp -56.08 -51.68 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.724 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 1.2 ptt85 -66.92 -41.49 86.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.754 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 6.2 mt-10 -64.33 -56.7 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.731 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.84 -49.85 57.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.708 -0.223 . . . . 0.0 111.535 -179.084 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 16' ' ' LEU . 18.1 t -58.49 -45.62 90.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 0.0 110.646 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.4 HG23 HD11 ' A' ' 3' ' ' LEU . 12.3 m -68.75 -29.66 68.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.787 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.16 87.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB3' HG21 ' A' ' 78' ' ' ILE . 8.4 mttt -67.11 -51.63 51.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.479 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.613 ' CE1' HG11 ' A' ' 37' ' ' VAL . 2.3 m-85 -52.94 -45.64 67.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.48 -51.74 61.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -29.68 58.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 23' ' ' LYS . 9.1 mp -80.77 -26.37 37.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -13.75 52.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.672 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -67.93 -58.5 4.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.805 0.336 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.486 ' CE1' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -89.65 2.37 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.468 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 19.2 m-30 -116.71 119.18 34.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.339 . . . . 0.0 110.734 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -107.9 -23.24 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.698 ' CZ ' HD13 ' A' ' 92' ' ' LEU . 18.4 mtt-85 -84.14 76.3 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.07 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.9 mt -144.02 117.12 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -121.23 -58.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.317 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 2' ' ' GLN . 6.4 tp60 -127.0 116.88 21.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 111.164 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.613 HG11 ' CE1' ' A' ' 24' ' ' PHE . 2.3 t -123.23 134.36 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.47 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -131.32 139.65 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -135.58 144.59 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.131 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 6' ' ' THR . 17.6 t -142.52 136.13 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 111.081 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.868 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.51 129.19 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.845 -179.099 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -106.74 143.08 35.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.468 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -122.3 110.8 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 47' ' ' THR . 5.5 pt-20 -128.66 152.51 48.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.574 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.81 -20.69 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.114 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.413 HG12 ' OG1' ' A' ' 47' ' ' THR . 45.7 t -87.33 -84.39 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.413 ' OG1' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -129.9 152.95 48.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.864 0.364 . . . . 0.0 111.588 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 8.0 m170 -93.36 137.14 32.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.285 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -125.34 133.63 52.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.983 0.42 . . . . 0.0 111.661 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.7 p -133.87 140.7 47.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.209 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 38.2 p-10 -127.06 141.59 51.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 111.336 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.679 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -128.57 137.88 51.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.926 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.402 ' HB ' ' CE2' ' A' ' 38' ' ' TYR . 2.0 m -140.33 107.54 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.454 ' HG ' HG13 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -101.41 145.48 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -101.09 134.65 43.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.433 HG21 HD11 ' A' ' 61' ' ' ILE . 29.3 t -130.65 153.16 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.983 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -64.46 102.59 0.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.965 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.98 -16.76 58.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.971 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.46 163.38 29.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.723 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.56 132.42 27.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 110.777 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.467 HD11 ' CE1' ' A' ' 88' ' ' HIS . 2.4 mp -101.67 136.24 34.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.04 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -134.61 112.12 10.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.807 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -127.73 162.83 25.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 111.126 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -140.82 117.17 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.339 179.687 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' A' ' 77' ' ' LEU . . . -112.86 156.97 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 111.345 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -130.25 156.71 44.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.621 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.84 167.63 33.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.554 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -65.56 -13.23 58.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.572 0.225 . . . . 0.0 111.497 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 3.5 p-10 -154.95 176.16 12.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.737 0.303 . . . . 0.0 110.796 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.2 ttp -59.65 -58.02 10.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.803 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -55.36 -41.95 73.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.39 -50.65 72.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.029 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.25 -34.21 31.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.461 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 34.5 mm -76.48 -30.13 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -56.62 18.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.252 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.33 -24.15 77.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.298 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 52' ' ' ALA . 12.6 tp -72.37 -45.19 60.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.407 . . . . 0.0 110.59 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.613 HG21 ' HB3' ' A' ' 23' ' ' LYS . 48.5 mm -79.59 -15.83 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.049 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.18 -57.62 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.453 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -64.59 -33.15 75.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.24 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.807 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -64.49 -46.35 83.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.838 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.99 -58.09 9.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.98 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -51.95 -32.88 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.191 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -75.96 -45.46 34.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.987 0.423 . . . . 0.0 110.834 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.488 HD13 ' HE1' ' A' ' 88' ' ' HIS . 0.3 OUTLIER -59.91 -42.26 93.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.724 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -67.04 -40.17 87.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -64.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.021 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.488 ' HE1' HD13 ' A' ' 85' ' ' LEU . 3.7 p-80 -61.73 -37.44 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.616 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -63.93 -17.41 63.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -87.73 -31.1 19.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.81 0.338 . . . . 0.0 110.648 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -53.92 -34.14 58.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.698 HD13 ' CZ ' ' A' ' 33' ' ' ARG . 3.2 mt -82.36 59.37 4.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.763 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -131.89 159.2 39.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.71 112.32 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.1 p80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.947 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 tpp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.835 0.35 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -117.02 -95.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.532 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.8 pt? -123.2 142.55 50.79 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.926 0.393 . . . . 0.0 111.196 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -132.7 142.11 48.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.448 HG22 ' HB ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -124.9 153.25 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 111.352 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.635 ' O ' HG13 ' A' ' 40' ' ' VAL . 9.4 m -142.22 118.81 11.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.108 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.792 ' HA3' HD11 ' A' ' 12' ' ' ILE . . . -100.3 121.18 7.14 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.938 -179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.518 ' OD1' ' HB2' ' A' ' 42' ' ' LYS . 6.5 p30 -98.15 114.33 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.696 0.284 . . . . 0.0 110.47 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 65.5 36.44 6.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 0.0 110.591 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.9 p -151.4 134.32 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.867 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.75 114.84 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.792 HD11 ' HA3' ' A' ' 7' ' ' GLY . 26.5 mm -76.27 94.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.006 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.8 p -96.93 145.17 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.746 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -35.17 -45.02 0.28 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.211 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 18' ' ' GLU . . . -59.39 -46.81 87.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.934 0.397 . . . . 0.0 111.25 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -61.82 -50.88 70.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.414 -179.43 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.5 ptm180 -65.69 -45.76 81.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.735 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 18.9 pt-20 -60.8 -45.41 94.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.832 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -54.07 -47.46 71.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 16' ' ' LEU . 7.2 t -61.59 -52.67 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.853 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.403 HG23 HD11 ' A' ' 3' ' ' LEU . 63.6 m -63.67 -29.1 70.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.62 84.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.737 ' HB3' HG21 ' A' ' 78' ' ' ILE . 8.7 mmtt -70.08 -44.75 68.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.404 ' HE2' HG11 ' A' ' 37' ' ' VAL . 1.5 m-85 -51.47 -48.15 62.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.03 -51.2 62.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -29.45 46.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.693 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.646 HD23 ' HE2' ' A' ' 31' ' ' PHE . 4.5 mp -80.83 -32.46 35.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.47 -14.94 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.545 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.44 -57.92 4.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.682 0.277 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 27' ' ' LEU . 2.2 p90 -87.59 -23.95 24.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.511 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.646 ' HE2' HD23 ' A' ' 27' ' ' LEU . 20.2 m-30 -94.97 118.92 32.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.823 0.344 . . . . 0.0 110.582 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.6 -29.67 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -75.58 71.07 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.417 HD11 ' CB ' ' A' ' 31' ' ' PHE . 28.2 mt -139.76 124.36 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.8 -62.49 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.96 120.88 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.525 ' CG1' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -126.94 136.72 59.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.845 179.69 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.474 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -133.11 146.25 51.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 -179.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 51' ' ' ASP . 15.0 t -138.67 146.47 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 6' ' ' THR . 20.2 t -142.88 136.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.16 0.505 . . . . 0.0 110.978 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.846 HD13 ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -131.77 129.79 41.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.828 -179.084 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.518 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 22.2 ttpt -102.11 136.17 42.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.325 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.415 HG22 ' CE ' ' A' ' 70' ' ' MET . 38.8 t -116.06 114.73 47.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.581 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -135.65 152.33 51.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.57 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.65 -20.18 7.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.93 -84.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.8 m -129.43 152.63 48.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 111.343 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 69' ' ' ASP . 6.4 m170 -95.84 133.88 39.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.296 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.1 m -124.68 137.44 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.043 0.449 . . . . 0.0 111.569 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 98.1 p -134.01 141.53 47.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.31 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.575 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.2 p30 -126.51 150.05 49.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.403 . . . . 0.0 111.135 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.832 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -136.79 142.8 42.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.36 105.15 4.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.054 HD13 HD21 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -100.52 145.41 28.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.181 -179.757 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.427 ' CE1' ' HG2' ' A' ' 60' ' ' GLU . 20.3 m-70 -109.38 134.52 51.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.671 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.511 HG21 ' CE1' ' A' ' 88' ' ' HIS . 19.2 t -141.75 117.4 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.331 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 41.19 -94.04 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.811 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.53 29.73 5.36 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.6 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.45 156.92 25.98 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.187 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.427 ' HG2' ' CE1' ' A' ' 55' ' ' HIS . 2.0 mt-10 -140.48 126.82 19.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.817 0.341 . . . . 0.0 111.178 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.05 140.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.418 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -133.43 113.67 12.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.977 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.838 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -133.68 163.03 30.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.887 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.7 p -140.14 151.58 45.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.668 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.07 145.6 39.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.313 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.62 147.08 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.623 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' A' ' 72' ' ' ALA . . . -150.3 159.02 27.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.8 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -58.33 -15.81 11.91 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.421 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 10.9 p30 -154.1 176.69 11.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.742 0.306 . . . . 0.0 110.479 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.66 ' HG2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.41 -15.63 60.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.316 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -87.18 -38.62 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.793 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . . . -69.11 -41.71 77.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.011 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.64 75.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.6 mm -75.47 -28.21 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.97 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.27 -53.59 34.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.08 -30.13 72.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.403 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.832 HD11 ' CB ' ' A' ' 52' ' ' ALA . 13.0 tp -67.49 -42.78 82.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.639 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.737 HG21 ' HB3' ' A' ' 23' ' ' LYS . 47.3 mm -80.06 -15.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.161 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.47 -59.56 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 110.605 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -37.33 87.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.526 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.838 HD21 ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -59.29 -49.15 78.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.771 179.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.59 -59.73 4.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -32.21 18.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.204 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -75.34 -44.92 42.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.721 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.054 HD21 HD13 ' A' ' 54' ' ' LEU . 3.2 mm? -59.27 -43.29 92.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.414 ' HG1' ' HZ ' ' A' ' 31' ' ' PHE . 1.7 m -64.88 -40.33 94.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -60.36 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.728 ' CE1' HD13 ' A' ' 85' ' ' LEU . 1.5 p-80 -69.35 -28.83 66.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.253 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.41 ' N ' ' CD2' ' A' ' 88' ' ' HIS . 7.6 tmtt? -65.94 -21.26 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.251 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.54 -23.97 58.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -45.52 -30.41 1.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.403 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.66 -73.26 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.27 30.96 15.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.031 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -70.67 -42.76 70.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 stop_ save_