data_2m0q_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 2m0q _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.614 0.245 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -38.0 79.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.862 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.68 -46.45 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.59 -33.02 67.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -63.54 -45.8 88.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.791 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.582 ' O ' ' OG1' ' A' ' 21' ' ' THR . 18.0 ttp180 -72.42 -37.55 68.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.197 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.643 ' O ' ' N ' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -71.71 -33.5 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.443 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 26.7 t80 -70.99 -52.31 20.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.962 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.07 -39.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.582 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 50.1 m -74.63 -38.02 62.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.93 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.643 ' N ' ' O ' ' A' ' 18' ' ' ILE . 4.6 t80 -64.14 -41.92 97.0 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.5 mmm -69.78 -26.76 64.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.504 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.956 -179.646 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.861 0.363 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -59.75 -39.23 84.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.757 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.92 -37.27 72.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -46.47 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.671 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 m -81.49 -16.02 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.3 ttt -64.99 -70.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.0 tp -70.02 -37.3 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.974 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.9 -41.23 67.1 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.4 mmt -72.11 -42.89 65.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.702 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -37.51 87.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -70.85 -37.39 73.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -41.15 93.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.699 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.41 -48.77 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.449 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.2 mt -57.36 -42.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.7 t -71.22 -36.36 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.617 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.91 -49.06 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.022 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.577 ' O ' ' OG1' ' A' ' 71' ' ' THR . 2.1 pp -76.14 -34.8 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.115 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.451 ' N ' HD13 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -56.29 -46.55 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.1 m -73.68 -38.76 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.685 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -67.9 -41.65 82.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.899 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' A' ' 67' ' ' ILE . 20.2 p -73.8 -30.93 63.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.74 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 4.6 t -74.61 -49.64 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -66.84 -29.53 69.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.882 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.576 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 90' ' ' GLU . 7.3 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.65 0.262 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.504 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER -75.07 -41.64 58.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.726 0.298 . . . . 0.0 110.96 -179.665 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.48 -24.9 63.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.001 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -69.75 -41.28 75.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.756 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.15 -24.21 58.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.354 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.504 ' OE2' ' O ' ' A' ' 90' ' ' GLU . 0.3 OUTLIER -75.35 -46.7 31.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -74.38 -24.61 59.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.007 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -26.33 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.301 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -72.79 -32.61 65.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.338 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -36.6 72.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.554 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.14 -47.25 81.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.499 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.02 -37.91 79.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.237 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.01 -41.67 86.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.411 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.26 -38.3 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.292 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.86 -42.03 79.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.449 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.54 -37.72 87.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.527 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.84 -35.9 81.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.46 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 p -59.65 -42.52 92.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.582 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -54.84 -41.21 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.622 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.02 -34.24 73.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -34.82 43.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.56 -41.03 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.929 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.5 ' O ' ' CD2' ' A' ' 111' ' ' HIS . 5.0 t-160 -62.22 -29.35 70.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.68 -46.09 84.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.051 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -65.05 -37.56 87.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 t -74.58 -43.76 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -70.9 -33.25 70.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.782 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -69.51 -40.4 77.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.436 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.574 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.9 OUTLIER -75.68 -42.72 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.152 179.674 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.598 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 9.0 mt -58.34 -33.73 48.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.394 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -72.02 -51.28 22.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.568 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.67 -44.13 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.574 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 7.9 p -74.4 -38.02 63.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.274 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 t80 -57.0 -50.44 72.72 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.698 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -26.94 66.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.9 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.854 -179.768 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.747 0.308 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -41.68 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.689 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.5 -37.8 85.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.687 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.4 ttt -63.61 -37.71 88.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.525 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 56' ' ' MET . 42.5 t -71.5 -68.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.498 ' C ' ' O ' ' A' ' 55' ' ' VAL . 1.6 tmm? -32.79 -66.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.212 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 57' ' ' ILE . 46.8 mm -55.98 -41.04 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.11 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -57.24 -37.09 78.81 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.0 mmt -67.69 -43.19 80.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 110.106 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.32 -46.03 90.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.318 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.67 -32.71 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.457 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -78.53 -36.65 44.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.57 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.451 HD12 HG23 ' A' ' 63' ' ' ILE . 31.8 mt -55.9 -47.68 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.716 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.9 pt -70.67 -30.41 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.52 -43.99 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.722 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.78 76.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.746 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.23 -45.07 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.73 -45.66 92.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.56 -38.85 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.789 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.1 m -67.97 -43.88 77.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.091 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.4 m -71.62 -30.5 65.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.656 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.0 t -74.98 -49.76 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.54 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -29.15 67.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.662 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.867 0.365 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.88 -30.85 40.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.706 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.9 -26.53 60.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.05 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -74.26 -42.71 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.677 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -57.55 -31.72 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.728 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -75.03 -46.29 35.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.09 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -71.01 -24.59 62.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.814 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -76.68 -33.2 58.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.384 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -74.46 -43.9 54.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.651 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -43.22 69.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.584 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -43.62 78.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.6 mt -63.64 -34.16 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.342 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.7 -35.95 75.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.409 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -70.82 -47.17 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.1 -39.32 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.53 -46.32 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.07 -39.49 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.548 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.55 -36.79 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.424 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -56.44 -36.07 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.622 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.12 -43.23 61.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.509 ' HG1' ' H ' ' A' ' 110' ' ' ILE . 21.2 p -62.66 -49.47 75.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.691 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.509 ' H ' ' HG1' ' A' ' 109' ' ' THR . 16.6 tt -65.18 -35.12 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -66.07 -29.1 69.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.72 -24.2 65.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.463 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.534 ' C ' ' OD1' ' A' ' 113' ' ' ASN . 25.6 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.517 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' ARG . 22.6 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.795 0.331 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -56.26 -38.32 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.651 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -76.76 -46.47 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.97 -33.3 75.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.677 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' GLU . 57.3 ttp180 -62.84 -42.58 99.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.415 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' O ' ' OG1' ' A' ' 21' ' ' THR . 8.8 mmm180 -76.82 -35.49 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.709 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 22' ' ' TYR . 29.6 mt -67.76 -32.76 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -70.37 -52.81 19.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.379 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.73 -37.28 79.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 85.1 m -74.2 -37.7 63.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.69 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 18' ' ' ILE . 1.3 t80 -67.29 -53.15 32.45 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.063 0.459 . . . . 0.0 110.113 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 mmm -62.1 -27.3 68.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.133 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.955 0.407 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -38.79 92.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.652 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -36.57 84.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.056 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.411 ' O ' ' SD ' ' A' ' 54' ' ' MET . 5.2 tpt -59.7 -51.35 70.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.066 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.25 -16.05 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.804 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.0 ttp -75.83 -69.64 0.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 58' ' ' GLY . 8.3 tt -53.61 -39.26 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.452 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.46 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . -61.53 -45.61 96.01 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.3 mmm -55.62 -41.75 73.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.466 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -57.47 -38.5 74.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 p -74.16 -39.89 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.459 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -60.78 -36.16 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.3 mt -73.0 -38.54 56.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.577 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.55 -48.92 78.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.2 -33.23 50.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.806 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.59 -46.35 80.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.451 HG22 HD12 ' A' ' 67' ' ' ILE . 38.1 pt -76.13 -34.88 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.849 0.356 . . . . 0.0 110.764 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.497 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 5.3 tp -58.64 -46.75 86.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.459 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 70' ' ' SER . 18.4 m -66.43 -38.76 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.999 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.476 ' N ' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -69.99 -47.76 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 109.946 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.474 ' O ' ' OG ' ' A' ' 74' ' ' SER . 71.9 p -61.49 -30.49 70.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.678 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 45.0 t -73.44 -49.27 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.157 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -64.36 -29.5 70.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.065 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 71' ' ' THR . 88.2 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.933 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.917 0.389 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -35.73 57.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.22 -36.41 82.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.729 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -40.35 72.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.749 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.71 -23.77 65.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -73.66 -46.25 47.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.153 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -74.87 -24.16 58.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.813 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -62.67 -21.64 65.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.812 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 98' ' ' SER . 3.8 pttt -74.5 -38.85 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.921 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.464 ' N ' ' CG ' ' A' ' 97' ' ' LYS . 0.3 OUTLIER -53.71 -33.04 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 -179.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -65.66 -44.28 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.732 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.7 mm -69.51 -33.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.5 tp -59.11 -43.03 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.835 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -53.94 -38.05 64.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -38.72 80.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -54.55 -41.82 70.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.699 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -58.95 -40.06 83.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.722 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.34 -38.06 89.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.757 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -41.92 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.58 -34.69 60.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.5 m -61.74 -48.81 79.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 111' ' ' HIS . 49.2 pt -67.29 -34.29 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.74 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 110' ' ' ILE . 38.8 t60 -60.98 -37.39 82.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.703 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.462 ' OE1' ' CA ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -69.18 -26.42 64.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.587 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.802 0.334 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.04 -38.44 79.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.401 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.76 -44.81 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -65.22 -33.28 75.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.635 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' GLU . 22.1 ttt-85 -67.01 -38.69 86.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.096 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -36.67 59.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.135 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.66 ' O ' ' N ' ' A' ' 22' ' ' TYR . 28.2 mt -64.24 -32.55 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.702 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -52.81 21.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.44 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.7 mm -64.48 -36.96 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.2 m -74.81 -38.13 62.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.611 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.66 ' N ' ' O ' ' A' ' 18' ' ' ILE . 3.2 t80 -67.9 -52.81 32.03 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.801 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.5 mmm -60.15 -27.49 67.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.738 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.201 179.78 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.9 tp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.79 0.328 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -70.99 -40.76 71.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.491 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.27 -36.39 83.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.62 -48.47 74.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.1 t -54.77 -69.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mmt -42.33 -45.34 4.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.668 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.34 -42.41 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.43 -42.38 82.08 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 mtm -66.57 -41.62 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.457 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -70.07 -38.17 75.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.715 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -33.63 75.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -40.02 91.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.483 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.71 -50.02 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.317 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.6 mm -61.04 -31.83 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.193 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' ' CG1' ' A' ' 69' ' ' VAL . 12.5 t -70.99 -44.52 75.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.45 76.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.083 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 68' ' ' LEU . 40.6 pt -67.91 -37.93 79.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.072 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.481 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -56.42 -42.39 77.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.561 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -62.78 -38.67 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.381 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -70.02 -47.67 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.969 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.4 p -65.62 -30.75 71.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.615 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 39.0 t -72.88 -48.69 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.115 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -69.72 -29.54 66.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.134 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.841 -179.72 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.77 0.319 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -78.31 -35.25 48.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.596 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.19 -41.9 69.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.64 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.9 t90 -74.3 -44.17 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -62.99 -30.55 71.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.147 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.33 -42.42 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.92 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.49 -24.29 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.989 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -62.75 -23.86 67.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.449 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -68.52 -43.49 76.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.789 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -32.56 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -55.52 -39.33 70.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.133 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.442 HG12 ' N ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -64.82 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.87 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.442 ' N ' HG12 ' A' ' 100' ' ' ILE . 1.4 tp -54.68 -43.7 72.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -61.35 -33.34 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.4 tp -48.72 -44.64 38.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.267 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -34.75 69.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.29 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.0 -38.93 77.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.368 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.44 ' HA ' ' HG1' ' A' ' 109' ' ' THR . 10.8 t -52.0 -36.92 51.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.393 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -62.9 -41.87 99.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.124 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -36.84 78.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.11 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.44 ' HG1' ' HA ' ' A' ' 106' ' ' SER . 1.3 m -62.43 -39.62 93.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.097 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.2 mm -56.77 -41.97 76.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.013 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -30.55 71.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.116 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -71.7 -28.47 63.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.43 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.767 0.317 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.7 -39.65 85.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.211 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -77.03 -47.13 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.689 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -33.3 71.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.584 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -55.62 -44.39 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.271 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -77.02 -36.33 56.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.657 ' O ' ' N ' ' A' ' 22' ' ' TYR . 96.3 mt -64.75 -33.47 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.735 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' MET . 27.6 t80 -71.2 -51.61 23.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mm -61.89 -39.96 85.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.2 m -74.77 -38.02 62.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.207 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.657 ' N ' ' O ' ' A' ' 18' ' ' ILE . 75.9 t80 -74.19 -53.27 10.19 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.174 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.1 tmt? -59.38 -27.18 65.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.817 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 24' ' ' ASP . 1.7 t0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.389 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.754 0.312 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -70.87 -40.81 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.42 -41.0 65.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.647 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.9 ttp -65.26 -31.85 73.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.767 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.7 t -75.67 -25.42 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.9 ttt -66.81 -58.55 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.757 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 57' ' ' ILE . 23.6 mm -53.71 -42.67 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.531 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.45 -36.57 89.74 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.2 tpt -62.84 -44.13 96.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.657 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.01 -38.34 72.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.377 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.67 64.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.548 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -63.74 -47.83 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.987 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 64' ' ' ILE . 15.2 tt -75.54 -50.45 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.499 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 82.4 mt -52.03 -54.94 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.803 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 p -57.7 -30.99 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.72 -46.62 77.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.458 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.0 mt -63.85 -39.63 86.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.22 -42.29 73.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.344 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.4 t -62.43 -39.24 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.495 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -47.61 63.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.693 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.0 p -64.69 -31.81 73.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.526 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.4 t -75.38 -49.52 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.039 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -67.96 -29.68 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.937 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.489 179.821 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.818 0.342 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.32 -38.73 55.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.538 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -25.83 68.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.635 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.471 ' O ' ' CB ' ' A' ' 96' ' ' TYR . 58.6 t90 -59.22 -44.28 92.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -65.45 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.078 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.52 -46.42 32.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.112 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -75.59 -24.62 56.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.19 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.471 ' CB ' ' O ' ' A' ' 92' ' ' TRP . 33.6 t80 -70.92 -37.84 72.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.708 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -66.44 -33.99 76.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.7 t -73.98 -32.74 63.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.06 -45.63 86.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.19 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -74.12 -34.3 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.212 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.4 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.8 OUTLIER -61.3 -40.6 94.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 -179.593 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -60.7 -31.86 71.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.941 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.46 -36.56 73.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.94 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -70.77 -49.17 49.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.936 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.21 -33.18 70.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -66.01 -43.3 88.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.815 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -55.25 -41.6 72.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.58 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.74 -40.7 72.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.512 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.1 m -62.54 -39.1 92.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.617 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.08 -39.08 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.423 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' A' ' 111' ' ' HIS . 8.7 t-80 -59.98 -36.67 77.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.258 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -58.44 -46.63 86.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.221 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.417 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 2.6 mm-40 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.767 0.317 . . . . 0.0 110.722 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -62.81 -37.91 88.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.4 t -76.38 -47.17 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.19 -33.63 76.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.345 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 7.3 tmm_? -68.22 -43.26 78.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.891 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.586 ' O ' ' OG1' ' A' ' 21' ' ' THR . 5.8 ttm-85 -63.75 -39.27 93.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.374 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.654 ' O ' ' N ' ' A' ' 22' ' ' TYR . 68.1 mt -63.44 -32.75 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 110.709 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -52.41 19.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.151 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.36 -36.83 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.586 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 31.1 m -74.45 -38.36 63.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.57 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.654 ' N ' ' O ' ' A' ' 18' ' ' ILE . 9.6 t80 -60.72 -52.16 66.28 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.1 mtp -58.16 -26.99 63.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.397 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.478 179.806 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.942 0.401 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -71.88 -37.23 70.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.711 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.74 -38.3 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.09 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.3 mmt -56.27 -42.27 77.18 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.683 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.5 t -73.17 -47.34 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.792 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.0 ttt -48.14 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.766 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 58' ' ' GLY . 13.0 tt -61.0 -43.3 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.731 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . -55.09 -42.18 80.51 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.6 tpt -58.65 -41.14 85.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.481 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -54.05 -36.51 63.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 m -68.0 -32.81 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.646 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -33.26 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.782 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 63' ' ' ILE . 1.7 mp -74.08 -45.54 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.836 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.561 ' CG2' ' N ' ' A' ' 65' ' ' VAL . 6.0 tt -59.36 -44.36 92.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.66 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.561 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -70.25 -30.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.571 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.69 -46.73 81.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.4 mt -63.59 -45.39 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.52 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 1.6 tp -54.84 -39.02 68.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.37 -39.1 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -47.84 57.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.902 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.7 m -65.28 -31.49 72.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.822 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 24.1 t -74.91 -49.85 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.243 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -66.1 -29.36 69.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.06 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.803 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.857 0.361 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.42 -37.05 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.524 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.62 -41.19 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -79.65 -37.86 35.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.706 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -65.45 -25.01 67.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.65 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -45.85 35.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.429 . . . . 0.0 110.089 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.489 ' HB3' ' HZ3' ' A' ' 95' ' ' LYS . 7.3 mtpm? -67.45 -23.81 65.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.901 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -76.85 -37.67 55.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.64 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -57.61 -34.71 69.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.4 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.555 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 3.8 p -63.06 -36.43 83.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.434 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.26 -40.48 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.6 mt -57.79 -42.85 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.663 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.38 -45.46 65.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 98' ' ' SER . 1.4 m120 -58.07 -46.91 84.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.79 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.22 -35.6 49.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.89 -43.84 94.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.481 ' O ' ' OE1' ' A' ' 105' ' ' GLU . 8.1 tp10 -75.62 -36.7 60.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.044 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.569 ' O ' ' OG1' ' A' ' 109' ' ' THR . 0.9 OUTLIER -66.34 -46.49 76.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.026 -179.523 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.514 ' O ' ' ND1' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -60.88 -37.42 82.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.819 -179.699 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 107' ' ' LYS . . . -58.29 -36.57 73.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.569 ' OG1' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER -64.31 -49.68 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.765 -179.648 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.503 ' CD1' ' N ' ' A' ' 110' ' ' ILE . 1.5 mp -58.02 -36.82 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.54 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 107' ' ' LYS . 3.3 m80 -67.01 -43.64 82.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.432 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.05 -32.09 70.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.677 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.759 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.4 tp10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.852 0.358 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.65 -37.72 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.38 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.443 ' HA ' HH12 ' A' ' 17' ' ' ARG . 29.1 t -68.91 -47.06 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.82 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -68.45 -33.04 73.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.313 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' GLU . 2.0 ttm180 -70.11 -40.31 74.96 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.023 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.572 ' O ' ' OG1' ' A' ' 21' ' ' THR . 17.6 ttm105 -69.96 -34.05 72.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.968 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.661 ' O ' ' N ' ' A' ' 22' ' ' TYR . 61.2 mt -69.94 -33.26 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.547 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -52.72 19.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.205 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.438 ' CD1' ' HG1' ' A' ' 21' ' ' THR . 1.7 pp -64.13 -37.82 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 63.4 m -74.58 -37.67 62.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.76 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.661 ' N ' ' O ' ' A' ' 18' ' ' ILE . 52.4 t80 -67.8 -53.07 29.94 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.349 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 0.9 OUTLIER -60.12 -26.89 66.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.407 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.509 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 35.4 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.648 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.812 0.339 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -71.64 -42.02 68.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.0 tp -65.0 -42.71 94.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' A' ' 54' ' ' MET . 17.9 tmm? -58.25 -28.44 64.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.377 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.626 ' O ' ' SD ' ' A' ' 59' ' ' MET . 59.2 t -76.82 -68.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.648 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.5 mtp -42.8 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.0 mm -53.87 -42.76 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.06 95.09 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.626 ' SD ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.4 -42.13 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.643 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -64.43 -44.51 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.6 m -58.49 -33.23 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.982 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.38 -45.09 92.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.776 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.99 -47.01 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.454 HD11 ' N ' ' A' ' 64' ' ' ILE . 1.5 mp -55.19 -50.61 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.58 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.6 t -53.8 -43.58 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.3 -49.78 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.5 mt -61.19 -45.55 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 72' ' ' VAL . 4.4 mp -60.22 -39.97 88.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.813 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.1 t -56.24 -39.3 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.753 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -47.65 58.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.428 ' H ' ' HG1' ' A' ' 71' ' ' THR . 0.5 OUTLIER -67.94 -30.84 70.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.947 179.393 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.9 t -72.86 -49.87 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.297 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -69.93 -29.4 66.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.909 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.593 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 90' ' ' GLU . 2.6 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.782 0.325 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.424 ' N ' HG22 ' A' ' 89' ' ' VAL . 33.0 mt-10 -78.65 -27.4 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.328 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' A' ' 92' ' ' TRP . 1.5 p-10 -60.37 -22.97 63.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.666 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 5.0 t-105 -62.33 -35.49 79.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.502 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -23.68 62.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.53 -44.06 65.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.788 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -75.6 -25.2 56.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.073 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.676 ' CZ ' ' OE1' ' A' ' 99' ' ' GLN . 22.1 t80 -78.13 -24.23 47.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.995 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -58.93 -32.25 69.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -56.63 -32.66 65.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.032 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.676 ' OE1' ' CZ ' ' A' ' 96' ' ' TYR . 41.8 tt0 -59.21 -48.8 80.28 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.77 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.7 pt -75.8 -39.31 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.537 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -32.77 63.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.071 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.22 -39.6 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -48.46 63.73 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.461 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.13 -36.47 84.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.04 -37.88 75.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.668 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -41.53 80.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.433 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -67.92 -37.46 81.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.431 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.33 73.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.3 m -57.88 -46.47 84.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.97 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -35.8 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.58 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -72.75 -27.64 62.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.08 -25.23 61.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.833 -179.754 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 3.4 tp10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.985 0.421 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.97 -37.15 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.569 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.47 -47.62 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.231 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 17.2 t80 -63.05 -33.42 75.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.942 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.609 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.1 mmp_? -64.13 -43.59 94.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.191 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 21' ' ' THR . 26.1 ttt180 -76.49 -34.18 58.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.304 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.65 ' O ' ' N ' ' A' ' 22' ' ' TYR . 1.1 tt -60.8 -33.63 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.439 ' N ' HG22 ' A' ' 18' ' ' ILE . 56.1 t80 -72.01 -52.67 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.184 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.431 HD13 HH12 ' A' ' 16' ' ' ARG . 66.9 mt -65.13 -37.46 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 85.6 m -74.81 -38.26 62.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.003 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.65 ' N ' ' O ' ' A' ' 18' ' ' ILE . 21.1 t80 -60.36 -52.9 63.27 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.961 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.2 ttt -63.17 -26.83 68.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.571 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.732 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.2 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -74.41 -43.52 55.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.6 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.25 -40.66 77.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.647 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.6 ttp -51.58 -43.88 62.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.74 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.0 m -78.56 -35.59 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -34.82 78.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.52 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.65 -42.18 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.438 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.61 -40.08 69.09 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 ttt -68.98 -43.91 73.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.325 . . . . 0.0 110.445 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -60.74 -42.5 97.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.382 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 m -58.05 -33.17 68.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.309 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.42 -44.53 96.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.533 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.08 -42.73 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.564 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.6 mt -57.97 -37.2 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.476 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.5 t -71.32 -31.55 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.213 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.26 66.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.473 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 68' ' ' LEU . 6.6 tt -64.41 -39.93 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.165 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.54 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 1.6 mt -66.45 -46.6 75.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.778 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.32 -38.9 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.484 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.612 ' HG ' ' N ' ' A' ' 71' ' ' THR . 92.2 p -70.07 -47.83 60.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.939 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.612 ' N ' ' HG ' ' A' ' 70' ' ' SER . 29.5 m -62.88 -31.06 72.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.608 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.54 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 71.6 t -74.69 -49.65 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.247 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -29.35 69.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.9 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.866 -179.853 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -60.12 -35.03 74.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.381 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -24.47 59.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.489 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.47 ' CZ3' ' HG3' ' A' ' 93' ' ' GLN . 4.1 t90 -76.68 -43.3 38.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.47 ' HG3' ' CZ3' ' A' ' 92' ' ' TRP . 2.1 mt-30 -51.79 -24.27 5.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.321 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.89 -46.3 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.32 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -75.39 -24.36 57.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -58.95 -47.26 85.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.45 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -55.23 -32.81 62.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.991 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 t -74.12 -39.74 63.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.28 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -47.87 84.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.404 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.65 -36.39 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.929 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.46 -38.74 72.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.797 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -73.13 -39.41 65.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.643 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.69 -37.55 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.02 -37.95 81.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.219 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -72.68 -32.97 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.189 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.6 t -51.78 -46.63 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.314 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -54.51 -35.81 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.273 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 107' ' ' LYS . . . -72.13 -33.61 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 111.062 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.4 m -60.73 -46.6 89.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.28 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.17 -42.85 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.145 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.544 ' HD1' ' N ' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -64.42 -28.26 69.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.13 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.54 -21.83 55.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.939 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.495 HD21 ' C ' ' A' ' 113' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.81 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.903 0.382 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.89 -37.84 82.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.33 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.55 -47.12 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.725 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -58.44 -33.17 69.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.507 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -47.86 64.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.238 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.544 ' O ' ' OG1' ' A' ' 21' ' ' THR . 10.9 mtp180 -71.8 -34.25 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.364 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 22' ' ' TYR . 1.6 mm -58.84 -33.63 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -72.01 -52.63 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.062 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.6 mm -65.37 -36.87 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.544 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 27.5 m -74.63 -38.07 62.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.871 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 18' ' ' ILE . 28.7 t80 -62.95 -52.82 61.54 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.879 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.497 ' O ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -61.46 -26.98 68.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.788 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.227 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.718 0.294 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -40.54 90.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.584 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 tp -63.11 -36.2 82.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.9 ttm -61.91 -40.73 96.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.8 t -58.53 -41.72 82.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.3 ttt -56.13 -53.65 54.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.354 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mm -58.02 -37.96 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.34 -45.48 95.87 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.1 mmt -56.27 -38.95 71.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.28 -42.38 91.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.524 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -38.14 88.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.434 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -38.28 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.561 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.19 -47.16 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 mt -61.0 -45.79 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.93 -35.67 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.531 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.18 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.451 HD13 HG21 ' A' ' 67' ' ' ILE . 50.6 mm -75.06 -35.05 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.3 mt -70.51 -46.58 63.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.012 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.2 m -57.75 -38.77 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.5 p -70.77 -48.07 56.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.904 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.7 p -56.74 -31.13 64.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.423 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 53.9 t -74.85 -46.97 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.144 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -69.31 -29.39 67.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.868 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.558 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.425 HG23 HE21 ' A' ' 93' ' ' GLN . 1.3 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.826 0.346 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.45 -42.3 91.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.268 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -39.27 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -65.36 -41.33 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.089 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.425 HE21 HG23 ' A' ' 89' ' ' VAL . 3.4 mt-30 -72.06 -28.09 63.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.432 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -46.54 36.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.777 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -64.92 -24.42 67.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.505 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.19 -39.34 63.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.131 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -40.82 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.291 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -32.7 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.494 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -47.39 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.547 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -72.53 -41.21 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.406 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.4 tp -57.57 -34.45 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -69.61 -34.38 74.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.76 -47.06 86.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.687 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -52.12 -36.73 52.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.61 -43.09 97.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.46 ' O ' ' OG1' ' A' ' 109' ' ' THR . 0.3 OUTLIER -61.19 -38.24 85.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.601 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -58.77 -39.19 80.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.55 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.75 71.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.561 ' HG1' ' N ' ' A' ' 110' ' ' ILE . 30.5 p -61.74 -44.5 96.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.466 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.561 ' N ' ' HG1' ' A' ' 109' ' ' THR . 2.5 mt -62.21 -34.27 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -65.83 -27.52 68.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.79 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -77.5 -47.98 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.589 ' OD1' ' N ' ' A' ' 113' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.863 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.617 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 2.3 mp0 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.868 0.366 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.43 -37.65 62.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.638 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -72.08 -45.83 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.8 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.75 -33.22 75.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.223 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -71.75 -41.08 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.979 179.573 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -35.6 81.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.104 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.564 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 48.0 mt -75.09 -32.64 27.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.526 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -72.05 -52.24 17.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.452 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.509 ' CG2' ' N ' ' A' ' 21' ' ' THR . 15.2 tt -61.88 -40.47 87.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.509 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 55.0 m -72.79 -38.12 67.36 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.574 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.564 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 24.2 t80 -64.13 -43.7 94.46 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.4 mtt -71.76 -27.14 62.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.688 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.531 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.798 0.333 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.414 ' CD2' ' SD ' ' A' ' 56' ' ' MET . 5.4 t80 -61.25 -41.14 96.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.395 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.4 mt -72.0 -37.38 69.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.466 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -44.48 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.686 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 56' ' ' MET . 57.8 t -65.2 -73.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.714 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' VAL . 57.7 mtp -36.76 -66.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.468 ' CG2' ' N ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -53.58 -39.03 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.797 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.468 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . -65.72 -43.04 94.91 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 ttt -66.93 -44.24 81.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 110.844 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -46.3 63.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.698 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 t -55.07 -32.92 62.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -35.8 74.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.33 -49.82 82.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' A' ' 64' ' ' ILE . 1.3 mp -62.7 -38.18 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.543 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.72 -46.79 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.77 -47.95 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.8 mt -56.0 -35.21 40.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -63.12 -42.23 99.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.6 -179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.8 t -56.07 -44.73 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -48.24 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.0 m -59.83 -31.02 69.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.422 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' LEU . 24.5 t -74.5 -45.89 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.828 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -69.23 -29.84 67.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.768 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.189 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -74.12 -31.93 62.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.715 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -63.54 -35.92 82.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.693 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 96' ' ' TYR . 0.8 OUTLIER -62.66 -37.06 84.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -57.61 -32.09 66.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.271 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -75.43 -46.29 33.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.232 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -75.07 -24.63 58.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' TRP . 46.9 t80 -63.89 -21.43 66.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -73.03 -41.62 64.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.39 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -70.12 -39.43 75.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.449 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -58.0 -44.25 87.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.43 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.0 mm -64.18 -33.89 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.219 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -37.52 87.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.445 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -65.83 -43.53 88.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.364 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.1 mm? -64.01 -35.17 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.409 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -50.82 -35.33 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.659 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -64.78 -40.84 95.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.455 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.473 ' O ' ' OG1' ' A' ' 109' ' ' THR . 1.3 t -58.33 -37.45 75.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.39 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -63.75 -36.8 85.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.253 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.49 -38.5 71.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.548 ' HG1' ' N ' ' A' ' 110' ' ' ILE . 40.1 p -63.27 -39.11 93.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.548 ' N ' ' HG1' ' A' ' 109' ' ' THR . 24.5 mt -59.24 -35.8 59.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.25 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -58.66 -27.57 64.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.349 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -27.9 67.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.55 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.54 -179.9 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.8 mtt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.559 ' O ' ' OG ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -110.67 88.3 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.425 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.3 p -57.95 -19.71 32.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.515 ' O ' ' OG1' ' A' ' 8' ' ' THR . 1.2 mp -57.85 -33.93 69.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.55 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.54 -36.5 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.584 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -74.49 -33.82 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.47 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -75.48 -33.83 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.515 ' OG1' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.58 -37.66 65.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.419 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -61.37 -34.12 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.644 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.3 m -76.69 -41.6 44.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.708 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.54 -40.93 72.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -59.12 -37.25 76.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.935 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -38.0 79.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.862 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.68 -46.45 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.59 -33.02 67.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -63.54 -45.8 88.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.791 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.582 ' O ' ' OG1' ' A' ' 21' ' ' THR . 18.0 ttp180 -72.42 -37.55 68.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.197 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.643 ' O ' ' N ' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -71.71 -33.5 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.443 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 26.7 t80 -70.99 -52.31 20.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.962 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.07 -39.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.582 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 50.1 m -74.63 -38.02 62.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.93 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.643 ' N ' ' O ' ' A' ' 18' ' ' ILE . 4.6 t80 -64.14 -41.92 97.0 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.5 mmm -69.78 -26.76 64.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.504 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -75.26 -47.56 27.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.956 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.41 -37.26 77.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.998 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.485 ' O ' ' OG1' ' A' ' 30' ' ' THR . 0.3 OUTLIER -58.97 -32.81 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.814 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -66.79 -23.43 66.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -79.1 -44.46 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.695 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -78.4 -19.46 53.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 26' ' ' TRP . 55.4 m -65.63 -31.24 72.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.496 ' HG1' ' H ' ' A' ' 32' ' ' ALA . 32.4 p -52.97 -46.34 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.539 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' H ' ' HG1' ' A' ' 31' ' ' THR . . . -50.38 -39.78 47.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.504 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.94 -35.74 74.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -73.44 -39.72 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.641 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HG2' HE21 ' A' ' 38' ' ' GLN . 0.2 OUTLIER -55.58 -41.16 72.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.658 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.36 -37.4 66.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.697 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -72.25 -45.43 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.697 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.439 HE21 ' HG2' ' A' ' 35' ' ' GLU . 5.3 pt20 -53.44 -24.35 12.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.57 -22.49 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.257 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.557 ' O ' ' C ' ' A' ' 41' ' ' VAL . 50.6 mttt -98.95 -16.83 18.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.336 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.695 ' CG2' ' H ' ' A' ' 42' ' ' ASP . 8.0 p 22.98 -132.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.914 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.695 ' H ' ' CG2' ' A' ' 41' ' ' VAL . 3.5 t0 -141.6 109.65 5.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.541 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.673 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -72.89 -25.95 61.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' A' ' 46' ' ' PHE . 1.7 mt-10 -70.46 -46.16 64.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.673 ' ND2' ' O ' ' A' ' 43' ' ' ALA . 7.5 m-80 69.09 -40.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.469 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.556 ' H ' ' C ' ' A' ' 44' ' ' GLU . 28.4 m-85 -65.65 -26.28 67.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -72.59 -31.13 64.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -58.17 -40.96 82.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.606 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 m -78.85 -33.64 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.1 mt -69.76 -44.76 78.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.598 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -35.86 82.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.624 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -59.75 -39.23 84.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.757 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.92 -37.27 72.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -46.47 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.671 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 m -81.49 -16.02 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.3 ttt -64.99 -70.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.0 tp -70.02 -37.3 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.974 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.9 -41.23 67.1 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.4 mmt -72.11 -42.89 65.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.702 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -37.51 87.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -70.85 -37.39 73.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -41.15 93.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.699 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.41 -48.77 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.449 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.2 mt -57.36 -42.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.7 t -71.22 -36.36 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.617 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.91 -49.06 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.022 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.577 ' O ' ' OG1' ' A' ' 71' ' ' THR . 2.1 pp -76.14 -34.8 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.115 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.451 ' N ' HD13 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -56.29 -46.55 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.1 m -73.68 -38.76 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.685 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -67.9 -41.65 82.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.899 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' A' ' 67' ' ' ILE . 20.2 p -73.8 -30.93 63.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.74 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 4.6 t -74.61 -49.64 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -66.84 -29.53 69.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.882 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -54.99 -31.41 60.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -74.6 -7.12 52.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.572 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' ARG . 6.1 tpt180 -74.65 -45.89 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.527 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' ARG . 1.8 mtt180 35.38 73.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.742 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -100.69 143.29 31.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.94 73.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.739 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -120.88 -170.87 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.32 179.744 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.491 ' N ' ' OG ' ' A' ' 80' ' ' SER . 9.5 m-80 -130.94 125.43 33.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -128.25 144.01 50.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.397 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.41 132.03 17.12 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.531 2.154 . . . . 0.0 112.184 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.665 ' O ' ' N ' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -102.2 146.1 28.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.548 ' C ' ' O ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -26.27 85.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.708 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' A' ' 84' ' ' TYR . 2.5 pt20 -65.02 -19.31 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -76.19 5.89 6.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.032 -179.593 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.441 ' O ' ' CD1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -55.83 -20.15 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.145 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 90' ' ' GLU . 7.3 p -79.82 -35.51 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.264 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.504 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER -75.07 -41.64 58.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.726 0.298 . . . . 0.0 110.96 -179.665 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.48 -24.9 63.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.001 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 88' ' ' ILE . 6.9 m0 -69.75 -41.28 75.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.756 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.15 -24.21 58.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.354 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.504 ' OE2' ' O ' ' A' ' 90' ' ' GLU . 0.3 OUTLIER -75.35 -46.7 31.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -74.38 -24.61 59.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.007 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -26.33 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.301 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -72.79 -32.61 65.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.338 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -36.6 72.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.554 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.14 -47.25 81.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.499 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.02 -37.91 79.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.237 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.01 -41.67 86.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.411 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.26 -38.3 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.292 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.86 -42.03 79.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.449 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.54 -37.72 87.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.527 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.84 -35.9 81.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.46 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 p -59.65 -42.52 92.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.582 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -54.84 -41.21 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.622 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.02 -34.24 73.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -34.82 43.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.56 -41.03 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.929 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 111' ' ' HIS . 5.0 t-160 -62.22 -29.35 70.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.68 -46.09 84.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -48.83 80.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.051 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.7 mm -57.25 -24.86 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.72 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.43 -28.37 64.7 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.99 -24.94 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.603 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -178.74 80.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -114.03 69.94 0.24 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.568 ' O ' ' O ' ' A' ' 120' ' ' LYS . 10.4 t80 -148.09 86.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.696 0.284 . . . . 0.0 110.537 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.568 ' O ' ' O ' ' A' ' 119' ' ' PHE . 27.0 mttt -54.44 -130.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -112.21 148.98 32.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.513 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.46 150.12 69.79 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.714 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo . . . . . 0 C--N 1.306 -1.709 0 C-N-CA 122.828 2.352 . . . . 0.0 112.113 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -126.49 167.84 15.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.691 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 m -69.76 -18.28 63.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.809 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.6 mt -73.04 -44.08 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.671 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -41.52 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.612 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -62.99 -32.49 73.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.651 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -64.09 -32.71 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.737 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.437 ' H ' ' HG1' ' A' ' 8' ' ' THR . 0.2 OUTLIER -55.15 -39.04 69.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.722 -179.736 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -62.73 -40.71 98.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -33.73 73.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.237 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.03 -36.54 83.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.326 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -45.4 90.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -65.05 -37.56 87.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 t -74.58 -43.76 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -70.9 -33.25 70.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.782 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -69.51 -40.4 77.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.436 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.574 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.9 OUTLIER -75.68 -42.72 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.152 179.674 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.598 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 9.0 mt -58.34 -33.73 48.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.394 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -72.02 -51.28 22.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.568 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.67 -44.13 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.574 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 7.9 p -74.4 -38.02 63.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.274 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 t80 -57.0 -50.44 72.72 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.698 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -26.94 66.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.9 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.6 -35.97 77.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -69.82 -43.38 72.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.756 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -53.46 -30.56 41.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.711 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' CG ' HH11 ' A' ' 27' ' ' ARG . 0.1 OUTLIER -59.45 -24.93 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 -179.794 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -75.83 -28.07 58.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.597 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 2.7 t-20 -54.58 -24.48 21.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.266 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -62.33 -35.41 79.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.267 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.1 p -59.57 -46.8 87.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.272 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.24 75.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.175 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 7.4 tp10 -55.28 -40.87 71.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.238 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -54.0 -43.86 70.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.14 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -67.68 -46.21 72.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.817 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.72 74.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.117 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 33' ' ' GLU . 6.1 tt -51.41 -39.4 57.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -53.29 -31.83 45.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.901 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.43 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.355 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.96 4.11 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.593 ' C ' ' H ' ' A' ' 43' ' ' ALA . 16.1 t -87.44 49.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.439 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 64.17 -7.18 0.23 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.48 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.593 ' H ' ' C ' ' A' ' 41' ' ' VAL . . . -53.73 -44.75 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.447 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' A' ' 46' ' ' PHE . 6.7 tt0 -71.58 -38.92 70.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.464 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 47.21 16.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.459 ' N ' ' C ' ' A' ' 44' ' ' GLU . 16.1 t80 -64.24 -33.63 76.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.76 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -72.18 -35.22 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.79 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.58 -40.41 92.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.927 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.9 t -65.98 -39.48 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.819 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.77 -37.66 54.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.758 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -73.21 -39.51 65.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -41.68 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.689 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.5 -37.8 85.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.687 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.4 ttt -63.61 -37.71 88.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.525 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 56' ' ' MET . 42.5 t -71.5 -68.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.498 ' C ' ' O ' ' A' ' 55' ' ' VAL . 1.6 tmm? -32.79 -66.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.212 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 57' ' ' ILE . 46.8 mm -55.98 -41.04 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.11 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -57.24 -37.09 78.81 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.0 mmt -67.69 -43.19 80.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 110.106 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.32 -46.03 90.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.318 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.67 -32.71 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.457 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -78.53 -36.65 44.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.57 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.451 HD12 HG23 ' A' ' 63' ' ' ILE . 31.8 mt -55.9 -47.68 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.716 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.9 pt -70.67 -30.41 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.52 -43.99 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.722 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.78 76.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.746 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.23 -45.07 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.73 -45.66 92.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.56 -38.85 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.789 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.1 m -67.97 -43.88 77.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.091 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.4 m -71.62 -30.5 65.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.656 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.0 t -74.98 -49.76 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.54 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -29.15 67.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -24.1 7.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.662 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -75.99 -25.53 55.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.648 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -66.93 -7.93 25.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.651 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.9 73.9 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.406 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.432 ' OE1' ' ND2' ' A' ' 81' ' ' ASN . 10.4 pt-20 -67.98 138.45 55.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.561 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -82.77 -68.28 0.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.1 t -128.56 23.19 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.432 ' ND2' ' OE1' ' A' ' 78' ' ' GLU . 7.7 m120 59.96 29.58 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.736 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.33 149.01 66.05 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.338 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -63.94 138.01 60.64 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.744 2.296 . . . . 0.0 112.194 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -98.61 108.73 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.471 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.496 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -60.2 139.79 57.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.705 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -72.27 -22.46 61.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -70.88 -7.08 43.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.391 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.1 mt -59.2 -30.46 43.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.646 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.22 -34.76 60.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.88 -30.85 40.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.706 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.9 -26.53 60.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.05 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -74.26 -42.71 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.677 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -57.55 -31.72 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.728 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -75.03 -46.29 35.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.09 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -71.01 -24.59 62.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.814 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -76.68 -33.2 58.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.384 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -74.46 -43.9 54.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.651 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -43.22 69.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.584 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -43.62 78.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.6 mt -63.64 -34.16 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.342 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.7 -35.95 75.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.409 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -70.82 -47.17 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.1 -39.32 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.53 -46.32 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.07 -39.49 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.548 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.55 -36.79 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.424 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -56.44 -36.07 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.622 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.12 -43.23 61.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.509 ' HG1' ' H ' ' A' ' 110' ' ' ILE . 21.2 p -62.66 -49.47 75.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.691 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.509 ' H ' ' HG1' ' A' ' 109' ' ' THR . 16.6 tt -65.18 -35.12 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -66.07 -29.1 69.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.72 -24.2 65.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.463 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.534 ' C ' ' OD1' ' A' ' 113' ' ' ASN . 25.6 t-20 -70.74 -48.74 52.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.517 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 tt -75.11 -32.07 25.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.45 -21.99 70.98 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.86 -49.58 77.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 110.572 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 176.62 78.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.628 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.544 ' O ' ' CD1' ' A' ' 119' ' ' PHE . . . -99.8 52.27 1.03 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 118' ' ' GLY . 21.3 m-85 -140.63 84.41 1.94 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.891 0.377 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm 72.76 -142.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.67 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.2 mtt -134.69 166.71 22.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.378 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.5 p -67.98 145.3 97.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.412 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 C--N 1.306 -1.694 0 C-N-CA 122.685 2.257 . . . . 0.0 112.083 -179.851 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -87.21 127.4 35.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.14 -36.88 42.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -53.49 -34.79 59.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.433 ' HA ' ' HG1' ' A' ' 8' ' ' THR . 43.4 t -74.32 -40.52 62.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.409 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -59.53 -42.39 92.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.91 -42.31 99.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.414 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.433 ' HG1' ' HA ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -58.47 -35.73 72.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.372 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -63.63 -42.47 98.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.189 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.1 m -71.14 -38.58 72.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.267 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.73 -42.87 99.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' ARG . 22.6 mt-10 -73.17 -43.93 60.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -56.26 -38.32 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.651 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -76.76 -46.47 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.97 -33.3 75.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.677 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' GLU . 57.3 ttp180 -62.84 -42.58 99.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.415 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' O ' ' OG1' ' A' ' 21' ' ' THR . 8.8 mmm180 -76.82 -35.49 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.709 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 22' ' ' TYR . 29.6 mt -67.76 -32.76 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -70.37 -52.81 19.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.379 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.73 -37.28 79.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 85.1 m -74.2 -37.7 63.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.69 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 18' ' ' ILE . 1.3 t80 -67.29 -53.15 32.45 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.063 0.459 . . . . 0.0 110.113 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 mmm -62.1 -27.3 68.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.133 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -65.69 -35.09 79.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.45 95.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -32.24 70.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -52.54 -26.48 13.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.031 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -77.11 -24.71 51.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.225 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -94.39 -25.52 16.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.342 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.6 m -70.46 -45.18 66.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.645 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 m -60.49 -44.6 95.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.08 -36.04 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.694 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.51 -46.71 63.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.704 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -53.25 -33.08 51.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -69.82 -36.07 75.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.523 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.49 93.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.409 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.3 tp -72.44 -45.83 57.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.565 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -71.96 -23.74 61.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.46 97.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.527 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.648 ' O ' ' N ' ' A' ' 42' ' ' ASP . 29.3 mmtm -99.27 -28.23 13.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.305 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.564 ' O ' ' C ' ' A' ' 42' ' ' ASP . 9.3 p 25.12 38.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.972 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.648 ' N ' ' O ' ' A' ' 40' ' ' LYS . 1.2 t70 21.88 83.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.583 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -73.3 -14.34 61.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.623 ' C ' ' H ' ' A' ' 46' ' ' PHE . 2.4 mm-40 -63.8 -50.53 68.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.583 ' ND2' ' O ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER 68.12 -19.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.602 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.623 ' H ' ' C ' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -59.25 -29.41 67.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -73.36 -29.96 62.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -71.56 -42.44 67.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.238 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -44.23 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.078 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 51' ' ' LEU . 1.8 tp -54.3 -35.77 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.545 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 3.9 tp -74.1 -44.39 54.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -38.79 92.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.652 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -36.57 84.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.056 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 54' ' ' MET . 5.2 tpt -59.7 -51.35 70.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.066 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.25 -16.05 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.804 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.0 ttp -75.83 -69.64 0.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 58' ' ' GLY . 8.3 tt -53.61 -39.26 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.452 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.46 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . -61.53 -45.61 96.01 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.3 mmm -55.62 -41.75 73.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.466 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -57.47 -38.5 74.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 p -74.16 -39.89 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.459 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -60.78 -36.16 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.3 mt -73.0 -38.54 56.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.577 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.55 -48.92 78.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.2 -33.23 50.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.806 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.59 -46.35 80.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.451 HG22 HD12 ' A' ' 67' ' ' ILE . 38.1 pt -76.13 -34.88 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.849 0.356 . . . . 0.0 110.764 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.497 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 5.3 tp -58.64 -46.75 86.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.459 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 70' ' ' SER . 18.4 m -66.43 -38.76 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.999 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.476 ' N ' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -69.99 -47.76 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 109.946 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.474 ' O ' ' OG ' ' A' ' 74' ' ' SER . 71.9 p -61.49 -30.49 70.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.678 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 45.0 t -73.44 -49.27 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.157 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -64.36 -29.5 70.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.065 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 71' ' ' THR . 88.2 p -66.14 -35.93 81.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.933 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' N ' ' HG ' ' A' ' 74' ' ' SER . 14.5 mttm -56.04 -25.2 43.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.994 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -56.43 -49.93 73.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.66 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.614 ' O ' ' N ' ' A' ' 79' ' ' HIS . 19.7 mmt180 -79.46 -38.64 34.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.695 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.554 ' C ' ' O ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER 23.72 42.48 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.614 ' N ' ' O ' ' A' ' 77' ' ' ARG . 32.8 m-70 55.52 -177.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.79 3.93 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.715 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.661 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 9.8 p30 -165.44 -128.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.551 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.661 ' N ' ' OD1' ' A' ' 81' ' ' ASN . 3.4 m-20 -96.71 146.94 32.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.504 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.18 137.61 41.0 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.602 2.201 . . . . 0.0 111.828 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -129.78 112.21 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -111.95 37.82 2.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.214 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -72.33 -26.17 61.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.248 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -107.45 -20.13 13.35 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.913 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.98 -21.87 29.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 0.0 110.545 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 t -67.18 -30.03 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -35.73 57.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.22 -36.41 82.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.729 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -40.35 72.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.749 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.71 -23.77 65.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -73.66 -46.25 47.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.153 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -74.87 -24.16 58.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.813 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -62.67 -21.64 65.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.812 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 98' ' ' SER . 3.8 pttt -74.5 -38.85 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.921 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.464 ' N ' ' CG ' ' A' ' 97' ' ' LYS . 0.3 OUTLIER -53.71 -33.04 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 -179.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -65.66 -44.28 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.732 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.7 mm -69.51 -33.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.5 tp -59.11 -43.03 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.835 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -53.94 -38.05 64.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -38.72 80.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -54.55 -41.82 70.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.699 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -58.95 -40.06 83.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.722 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.34 -38.06 89.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.757 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -41.92 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.58 -34.69 60.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.5 m -61.74 -48.81 79.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 111' ' ' HIS . 49.2 pt -67.29 -34.29 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.74 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 110' ' ' ILE . 38.8 t60 -60.98 -37.39 82.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.703 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.462 ' CA ' ' OE1' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -69.18 -26.42 64.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.587 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -69.66 -29.2 66.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.4 -32.55 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.534 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.76 -33.67 78.88 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.477 ' C ' ' H ' ' A' ' 118' ' ' GLY . . . -67.81 -17.77 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.441 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.83 -4.56 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.484 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 116' ' ' ALA . . . -144.18 17.4 2.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -148.77 84.91 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.396 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -173.13 30.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.423 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 32.6 mtm -70.74 149.2 47.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.27 149.94 70.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.449 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 122.79 2.327 . . . . 0.0 112.14 -179.813 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.628 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 p -117.01 168.96 9.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.468 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 4' ' ' LEU . 12.0 t -55.39 -31.91 62.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.384 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' N ' HG23 ' A' ' 3' ' ' THR . 19.6 mt -54.91 -38.49 67.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.365 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -61.61 -42.2 98.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.109 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.37 -43.23 83.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.971 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -61.6 -36.54 81.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.158 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.428 ' H ' ' HG1' ' A' ' 8' ' ' THR . 0.2 OUTLIER -67.2 -32.0 72.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -47.37 86.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.221 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 p -58.97 -48.44 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.164 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mt -59.07 -41.22 87.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.331 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -64.27 -35.96 82.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.328 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.04 -38.44 79.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.401 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.76 -44.81 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -65.22 -33.28 75.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.635 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' GLU . 22.1 ttt-85 -67.01 -38.69 86.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.096 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -36.67 59.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.135 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.66 ' O ' ' N ' ' A' ' 22' ' ' TYR . 28.2 mt -64.24 -32.55 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.702 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -52.81 21.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.44 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.7 mm -64.48 -36.96 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.2 m -74.81 -38.13 62.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.611 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.66 ' N ' ' O ' ' A' ' 18' ' ' ILE . 3.2 t80 -67.9 -52.81 32.03 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.801 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.5 mmm -60.15 -27.49 67.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.738 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.65 -40.55 92.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.201 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -35.8 69.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.289 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -56.49 -31.43 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.382 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -56.36 -35.14 67.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.787 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -72.89 -25.42 61.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -80.97 -14.3 58.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.0 m -57.5 -30.7 65.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -33.69 73.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.453 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.84 -33.32 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.709 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.12 -34.83 74.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.661 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -54.52 -41.89 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.665 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -53.34 -45.47 69.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.579 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.78 -33.23 64.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.494 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.92 -51.02 59.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.773 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 2.6 pt20 -68.68 -23.17 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.695 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' N ' ' HG3' ' A' ' 38' ' ' GLN . . . -65.04 -39.9 94.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.415 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.678 ' O ' ' N ' ' A' ' 42' ' ' ASP . 44.9 mttp -87.09 -2.67 58.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.347 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 40' ' ' LYS . 1.5 p 26.7 35.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.678 ' N ' ' O ' ' A' ' 40' ' ' LYS . 57.3 m-20 29.91 61.6 0.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.768 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.523 ' O ' ' OD1' ' A' ' 45' ' ' ASN . . . -54.41 -46.53 73.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' ' 46' ' ' PHE . 2.3 tt0 -65.62 -37.5 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.615 ' ND2' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 66.09 -1.33 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.655 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.458 ' H ' ' C ' ' A' ' 44' ' ' GLU . 8.5 t80 -58.6 -31.78 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -56.12 -37.18 69.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -69.67 -37.99 76.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.95 -39.87 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.705 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.84 -37.87 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.734 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.76 -46.01 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -70.99 -40.76 71.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.491 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.27 -36.39 83.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.62 -48.47 74.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.1 t -54.77 -69.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mmt -42.33 -45.34 4.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.668 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.34 -42.41 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.43 -42.38 82.08 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 mtm -66.57 -41.62 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.457 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -70.07 -38.17 75.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.715 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -33.63 75.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -40.02 91.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.483 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.71 -50.02 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.317 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.6 mm -61.04 -31.83 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.193 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' ' CG1' ' A' ' 69' ' ' VAL . 12.5 t -70.99 -44.52 75.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.45 76.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.083 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 68' ' ' LEU . 40.6 pt -67.91 -37.93 79.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.072 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.481 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -56.42 -42.39 77.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.561 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -62.78 -38.67 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.381 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -70.02 -47.67 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.969 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.4 p -65.62 -30.75 71.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.615 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 39.0 t -72.88 -48.69 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.115 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -69.72 -29.54 66.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.134 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -71.38 -47.69 54.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -58.56 -47.51 84.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.551 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -56.99 -21.29 29.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 42.87 71.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 172.23 160.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.461 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -111.8 86.09 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.734 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.57 168.97 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.453 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -83.96 127.71 34.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.87 148.54 34.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.487 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -64.49 146.24 89.04 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.741 2.294 . . . . 0.0 112.005 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 18.5 m-85 -101.05 112.63 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.797 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 60.16 62.88 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.78 -26.02 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.458 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -76.69 4.5 9.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.325 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.0 tt -57.97 -36.17 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.5 m -64.02 -39.61 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.621 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -78.31 -35.25 48.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.596 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.19 -41.9 69.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.64 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.9 t90 -74.3 -44.17 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -62.99 -30.55 71.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.147 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.33 -42.42 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.92 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.49 -24.29 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.989 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -62.75 -23.86 67.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.449 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -68.52 -43.49 76.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.789 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -32.56 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -55.52 -39.33 70.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.133 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.442 HG12 ' N ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -64.82 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.87 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.442 ' N ' HG12 ' A' ' 100' ' ' ILE . 1.4 tp -54.68 -43.7 72.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -61.35 -33.34 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.4 tp -48.72 -44.64 38.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.267 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -34.75 69.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.29 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.0 -38.93 77.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.368 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.44 ' HA ' ' HG1' ' A' ' 109' ' ' THR . 10.8 t -52.0 -36.92 51.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.393 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -62.9 -41.87 99.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.124 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -36.84 78.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.11 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.44 ' HG1' ' HA ' ' A' ' 106' ' ' SER . 1.3 m -62.43 -39.62 93.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.097 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.2 mm -56.77 -41.97 76.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.013 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -30.55 71.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.116 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -71.7 -28.47 63.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.43 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -44.83 92.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.474 HG12 ' HZ1' ' A' ' 120' ' ' LYS . 18.3 mt -70.43 -35.77 63.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.341 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.06 -14.56 76.3 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.55 -29.48 66.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 110.601 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -114.2 -52.16 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.453 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 138.36 -58.38 0.62 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -153.21 84.82 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.196 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.474 ' HZ1' HG12 ' A' ' 114' ' ' ILE . 1.2 ptpp? -55.78 128.53 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 30.8 mtm -86.92 125.63 34.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.689 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.1 p -73.25 149.8 89.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 C--N 1.306 -1.672 0 C-N-CA 122.779 2.319 . . . . 0.0 112.184 -179.868 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.559 ' SD ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -105.57 145.91 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.459 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -51.0 -19.76 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.565 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp -56.34 -40.32 74.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.424 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -58.95 -35.77 73.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.288 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 6' ' ' ASN . 38.6 t-20 -69.17 -35.72 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.288 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.66 -26.58 63.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.304 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.5 m -63.28 -32.92 74.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -56.15 -44.59 79.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.359 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -69.43 -39.45 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.208 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.87 -43.88 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.304 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -56.92 -35.62 69.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.31 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.7 -39.65 85.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.211 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -77.03 -47.13 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.689 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -33.3 71.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.584 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -55.62 -44.39 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.271 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -77.02 -36.33 56.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.657 ' O ' ' N ' ' A' ' 22' ' ' TYR . 96.3 mt -64.75 -33.47 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.735 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' MET . 27.6 t80 -71.2 -51.61 23.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mm -61.89 -39.96 85.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.2 m -74.77 -38.02 62.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.207 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.657 ' N ' ' O ' ' A' ' 18' ' ' ILE . 75.9 t80 -74.19 -53.27 10.19 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.174 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PHE . 1.1 tmt? -59.38 -27.18 65.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.817 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 24' ' ' ASP . 1.7 t0 -55.65 -47.16 77.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.389 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -35.58 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.122 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -31.56 59.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.273 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -54.43 -30.72 53.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.607 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -23.83 62.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.546 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -90.54 -15.11 31.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.469 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 m -71.9 -31.11 66.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.449 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.538 ' H ' ' HG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -52.92 -38.16 61.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.329 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.07 69.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.401 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -34.8 60.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.328 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -57.71 -35.67 70.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.38 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.18 -45.87 68.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.61 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.7 -49.12 42.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -55.5 -25.5 37.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.0 -37.04 69.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 42' ' ' ASP . 10.3 mttm -92.74 -29.38 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.143 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.547 ' C ' ' O ' ' A' ' 40' ' ' LYS . 1.8 p -28.04 -36.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.649 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 40' ' ' LYS . 68.9 m-20 -84.82 48.3 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' LYS . . . -66.82 -30.95 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.05 -29.87 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.583 HD21 ' H ' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -86.05 77.65 9.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.575 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -53.65 -32.02 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.543 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.435 ' HB3' HD22 ' A' ' 45' ' ' ASN . 1.2 t80 -56.1 -25.21 44.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.583 ' H ' HD21 ' A' ' 45' ' ' ASN . 1.9 t80 -65.19 -26.2 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.297 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.47 -45.27 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.542 ' CD1' ' C ' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -74.73 -29.89 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.524 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' N ' HG13 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -68.8 -36.93 78.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.709 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -70.87 -40.81 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.42 -41.0 65.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.647 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.9 ttp -65.26 -31.85 73.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.767 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.7 t -75.67 -25.42 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.9 ttt -66.81 -58.55 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.757 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 57' ' ' ILE . 23.6 mm -53.71 -42.67 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.531 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.45 -36.57 89.74 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.2 tpt -62.84 -44.13 96.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.657 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.01 -38.34 72.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.377 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.67 64.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.548 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -63.74 -47.83 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.987 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 64' ' ' ILE . 15.2 tt -75.54 -50.45 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.499 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 82.4 mt -52.03 -54.94 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.803 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 p -57.7 -30.99 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.72 -46.62 77.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.458 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.0 mt -63.85 -39.63 86.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.22 -42.29 73.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.344 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.4 t -62.43 -39.24 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.495 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -47.61 63.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.693 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.0 p -64.69 -31.81 73.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.526 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.4 t -75.38 -49.52 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.039 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -67.96 -29.68 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.937 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.8 m -58.35 -22.46 53.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.489 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' HG2' HH21 ' A' ' 76' ' ' ARG . 4.9 ttpm? -64.89 -51.95 59.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.462 HH21 ' HG2' ' A' ' 75' ' ' LYS . 6.4 mmp_? -57.17 -36.54 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.364 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 67.06 -50.96 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.979 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 80' ' ' SER . 19.7 mt-10 -118.69 179.61 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.742 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.534 ' ND1' ' N ' ' A' ' 79' ' ' HIS . 0.9 OUTLIER -73.6 43.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.448 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.462 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -37.89 155.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -105.55 89.09 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.609 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -118.26 135.32 23.48 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.84 129.88 12.91 Favored 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.554 2.169 . . . . 0.0 112.395 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -115.15 120.29 39.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.32 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.563 ' O ' ' CG2' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -128.8 -19.74 3.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -51.94 -25.3 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.503 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.44 1.99 8.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.568 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.563 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 2.5 pp -70.4 -19.47 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.0 t -60.09 -37.22 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.459 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.32 -38.73 55.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.538 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -25.83 68.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.635 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.471 ' O ' ' CB ' ' A' ' 96' ' ' TYR . 58.6 t90 -59.22 -44.28 92.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -65.45 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.078 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.52 -46.42 32.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.112 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -75.59 -24.62 56.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.19 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.471 ' CB ' ' O ' ' A' ' 92' ' ' TRP . 33.6 t80 -70.92 -37.84 72.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.708 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -66.44 -33.99 76.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.7 t -73.98 -32.74 63.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.06 -45.63 86.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.19 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -74.12 -34.3 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.212 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.4 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.8 OUTLIER -61.3 -40.6 94.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 -179.593 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -60.7 -31.86 71.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.941 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.46 -36.56 73.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.94 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -70.77 -49.17 49.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.936 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.21 -33.18 70.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -66.01 -43.3 88.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.815 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -55.25 -41.6 72.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.58 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.74 -40.7 72.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.512 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.1 m -62.54 -39.1 92.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.617 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.08 -39.08 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.423 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' A' ' 111' ' ' HIS . 8.7 t-80 -59.98 -36.67 77.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.258 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -58.44 -46.63 86.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.221 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.444 ' OD1' ' NZ ' ' A' ' 120' ' ' LYS . 0.1 OUTLIER -55.22 -30.09 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.168 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.7 mt -72.37 -20.36 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.333 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.76 -20.27 78.56 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.38 -47.77 84.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.512 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 179.67 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.61 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 119' ' ' PHE . . . 126.91 12.55 3.21 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.551 ' O ' ' C ' ' A' ' 120' ' ' LYS . 3.5 m-85 -149.41 87.64 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.716 0.293 . . . . 0.0 110.503 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 119' ' ' PHE . 1.5 mttp -26.68 -69.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.2 mtt -143.08 115.76 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.464 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.68 145.51 94.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.422 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo . . . . . 0 C--N 1.307 -1.636 0 C-N-CA 122.536 2.157 . . . . 0.0 112.054 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 mmt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.6 115.6 18.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.9 t -49.86 -20.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.639 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.74 -43.47 96.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.626 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -59.12 -36.82 75.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -77.37 -33.05 55.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.753 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -31.26 70.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -52.91 -32.61 46.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.637 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.25 -37.68 72.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.11 -33.6 65.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.678 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.06 -37.37 84.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 2.6 mm-40 -58.32 -43.02 88.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.722 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -62.81 -37.91 88.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.4 t -76.38 -47.17 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.19 -33.63 76.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.345 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 7.3 tmm_? -68.22 -43.26 78.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.891 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.586 ' O ' ' OG1' ' A' ' 21' ' ' THR . 5.8 ttm-85 -63.75 -39.27 93.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.374 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.654 ' O ' ' N ' ' A' ' 22' ' ' TYR . 68.1 mt -63.44 -32.75 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 110.709 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -52.41 19.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.151 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.36 -36.83 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.586 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 31.1 m -74.45 -38.36 63.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.57 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.654 ' N ' ' O ' ' A' ' 18' ' ' ILE . 9.6 t80 -60.72 -52.16 66.28 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.1 mtp -58.16 -26.99 63.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.397 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -72.53 -36.48 68.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.478 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 29' ' ' ASN . 10.0 m120 -70.7 -38.61 73.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.406 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -55.04 -36.77 65.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.57 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 mtm105 -72.49 -42.95 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.69 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.32 -21.66 53.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.806 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.4 OUTLIER -75.33 -16.44 60.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.678 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -39.86 30.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.661 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 p -53.46 -32.88 52.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.25 -47.35 55.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -65.52 -42.38 92.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.888 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -72.27 -32.67 66.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.737 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.518 ' C ' ' CD ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -54.29 -35.39 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.499 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 35' ' ' GLU . . . -52.6 -37.45 58.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.649 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.7 tp -68.67 -39.86 80.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -68.0 -27.82 66.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.31 -27.43 23.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.434 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -2.6 6.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.459 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.85 44.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.657 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.558 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -77.2 12.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.999 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -21.76 66.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.346 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' A' ' 46' ' ' PHE . 41.5 mt-10 -76.18 -32.0 58.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.271 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 61.3 0.8 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.999 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.488 ' H ' ' C ' ' A' ' 44' ' ' GLU . 35.4 t80 -71.88 -24.15 61.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.392 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.72 -36.0 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.609 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -57.3 -33.08 67.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.97 -43.86 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.647 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.456 ' H ' HD12 ' A' ' 50' ' ' ILE . 1.6 mp -58.07 -42.56 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.435 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -42.66 99.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.485 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -71.88 -37.23 70.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.711 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.74 -38.3 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.09 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.3 mmt -56.27 -42.27 77.18 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.683 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.5 t -73.17 -47.34 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.792 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.0 ttt -48.14 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.766 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 58' ' ' GLY . 13.0 tt -61.0 -43.3 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.731 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . -55.09 -42.18 80.51 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.6 tpt -58.65 -41.14 85.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.481 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -54.05 -36.51 63.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 m -68.0 -32.81 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.646 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -33.26 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.782 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 63' ' ' ILE . 1.7 mp -74.08 -45.54 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.836 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.561 ' CG2' ' N ' ' A' ' 65' ' ' VAL . 6.0 tt -59.36 -44.36 92.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.66 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.561 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -70.25 -30.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.571 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.69 -46.73 81.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.4 mt -63.59 -45.39 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.52 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 1.6 tp -54.84 -39.02 68.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.37 -39.1 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -47.84 57.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.902 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.7 m -65.28 -31.49 72.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.822 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 24.1 t -74.91 -49.85 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.243 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -66.1 -29.36 69.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.06 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.551 ' OG ' ' O ' ' A' ' 78' ' ' GLU . 9.0 t -71.35 -27.08 63.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.803 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -60.74 -22.07 63.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.795 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -6.94 52.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.528 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -132.37 -74.26 0.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.551 ' O ' ' OG ' ' A' ' 74' ' ' SER . 37.3 mt-10 -148.4 -175.98 5.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.634 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.478 ' CG ' ' O ' ' A' ' 79' ' ' HIS . 0.9 OUTLIER -176.02 85.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.87 159.71 44.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.66 -31.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 14.6 p-10 -127.91 149.05 69.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.645 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.84 137.53 27.18 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.841 2.361 . . . . 0.0 112.172 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.598 ' O ' ' N ' ' A' ' 86' ' ' GLN . 59.7 m-85 -90.06 143.63 26.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.385 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -55.72 77.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.419 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -66.91 -25.94 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.693 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.478 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 12.0 t80 -76.06 -40.6 52.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.6 mt -73.56 -37.47 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.541 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.5 t -77.24 -22.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.391 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.42 -37.05 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.524 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.62 -41.19 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -79.65 -37.86 35.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.706 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -65.45 -25.01 67.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.65 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -45.85 35.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.429 . . . . 0.0 110.089 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.489 ' HB3' ' HZ3' ' A' ' 95' ' ' LYS . 7.3 mtpm? -67.45 -23.81 65.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.901 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -76.85 -37.67 55.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.64 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -57.61 -34.71 69.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.4 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.555 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 3.8 p -63.06 -36.43 83.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.434 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.26 -40.48 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.6 mt -57.79 -42.85 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.663 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.38 -45.46 65.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 98' ' ' SER . 1.4 m120 -58.07 -46.91 84.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.79 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.22 -35.6 49.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.89 -43.84 94.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.481 ' O ' ' OE1' ' A' ' 105' ' ' GLU . 8.1 tp10 -75.62 -36.7 60.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.044 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.569 ' O ' ' OG1' ' A' ' 109' ' ' THR . 0.9 OUTLIER -66.34 -46.49 76.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.026 -179.523 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.514 ' O ' ' ND1' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -60.88 -37.42 82.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.819 -179.699 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 107' ' ' LYS . . . -58.29 -36.57 73.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.569 ' OG1' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER -64.31 -49.68 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.765 -179.648 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.503 ' CD1' ' N ' ' A' ' 110' ' ' ILE . 1.5 mp -58.02 -36.82 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.54 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 107' ' ' LYS . 3.3 m80 -67.01 -43.64 82.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.432 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.05 -32.09 70.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.677 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -38.05 72.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.759 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.04 -39.95 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.88 -25.19 65.14 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 117' ' ' ALA . . . -78.73 -17.28 56.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.547 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 116' ' ' ALA . . . 77.47 -16.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 116' ' ' ALA . . . 78.37 40.86 18.16 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -146.91 85.89 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.725 0.298 . . . . 0.0 110.603 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -151.31 60.96 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.389 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 37.9 mtt -109.9 138.93 45.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.722 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.5 t -82.55 141.84 45.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.352 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo . . . . . 0 C--N 1.308 -1.584 0 C-N-CA 122.595 2.197 . . . . 0.0 112.142 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 mtt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -86.25 90.7 8.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.484 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.6 p -64.03 -32.51 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 tp -53.55 -40.28 65.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.348 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -59.45 -39.21 82.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -70.07 -37.35 75.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.588 ' O ' ' OG1' ' A' ' 10' ' ' THR . 3.7 m-30 -57.63 -33.23 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -32.42 64.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -66.33 -31.75 72.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.588 ' OG1' ' O ' ' A' ' 7' ' ' PHE . 1.3 p -63.77 -42.31 97.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.796 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 9.9 mp -61.33 -45.01 96.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.581 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.4 tp10 -61.45 -40.06 93.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.262 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.65 -37.72 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.38 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.443 ' HA ' HH12 ' A' ' 17' ' ' ARG . 29.1 t -68.91 -47.06 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.82 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -68.45 -33.04 73.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.313 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' GLU . 2.0 ttm180 -70.11 -40.31 74.96 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.023 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.572 ' O ' ' OG1' ' A' ' 21' ' ' THR . 17.6 ttm105 -69.96 -34.05 72.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.968 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.661 ' O ' ' N ' ' A' ' 22' ' ' TYR . 61.2 mt -69.94 -33.26 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.547 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -52.72 19.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.205 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.438 ' CD1' ' HG1' ' A' ' 21' ' ' THR . 1.7 pp -64.13 -37.82 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.572 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 63.4 m -74.58 -37.67 62.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.76 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.661 ' N ' ' O ' ' A' ' 18' ' ' ILE . 52.4 t80 -67.8 -53.07 29.94 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.349 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 0.9 OUTLIER -60.12 -26.89 66.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.407 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.509 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 35.4 t0 -65.95 -34.24 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.648 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' OD1' ' O ' ' A' ' 22' ' ' TYR . 1.2 p-10 -52.65 -40.78 63.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -33.95 77.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.838 0.351 . . . . 0.0 110.617 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -64.16 -40.33 95.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.22 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -64.81 -28.03 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.313 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -17.63 40.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.241 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 m -68.28 -44.23 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.417 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.4 m -60.1 -33.77 72.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.221 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.12 72.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.438 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -53.86 -42.5 68.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.19 -38.29 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.335 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -70.5 -36.25 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.271 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.19 -36.33 60.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.343 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.04 -47.96 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.204 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.477 ' O ' ' O ' ' A' ' 41' ' ' VAL . 13.6 mm100 -73.03 -23.99 60.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.576 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.36 -28.12 62.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.546 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -65.11 -38.72 91.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.739 ' CG2' ' H ' ' A' ' 42' ' ' ASP . 7.8 p -119.86 -172.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.315 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.739 ' H ' ' CG2' ' A' ' 41' ' ' VAL . 61.0 m-20 39.71 45.74 1.48 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.778 0.323 . . . . 0.0 110.418 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.5 -42.8 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.514 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 45' ' ' ASN . 40.8 mm-40 -59.53 -26.89 65.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.302 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.518 ' OD1' ' O ' ' A' ' 45' ' ' ASN . 16.2 p30 42.13 60.51 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.601 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -54.36 -24.14 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -55.97 -49.66 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.31 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.82 -36.35 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.373 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.36 -39.95 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.368 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 mt -54.88 -36.33 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.056 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.37 -39.47 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.23 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -71.64 -42.02 68.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.0 tp -65.0 -42.71 94.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' A' ' 54' ' ' MET . 17.9 tmm? -58.25 -28.44 64.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.377 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.626 ' O ' ' SD ' ' A' ' 59' ' ' MET . 59.2 t -76.82 -68.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.648 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.5 mtp -42.8 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.0 mm -53.87 -42.76 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.06 95.09 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.626 ' SD ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.4 -42.13 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.643 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -64.43 -44.51 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.6 m -58.49 -33.23 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.982 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.38 -45.09 92.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.776 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.99 -47.01 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.454 HD11 ' N ' ' A' ' 64' ' ' ILE . 1.5 mp -55.19 -50.61 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.58 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.6 t -53.8 -43.58 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.3 -49.78 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.5 mt -61.19 -45.55 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 72' ' ' VAL . 4.4 mp -60.22 -39.97 88.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.813 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.1 t -56.24 -39.3 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.753 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -47.65 58.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.428 ' H ' ' HG1' ' A' ' 71' ' ' THR . 0.5 OUTLIER -67.94 -30.84 70.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.947 179.393 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.9 t -72.86 -49.87 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.297 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -69.93 -29.4 66.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.909 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.3 t -64.39 -22.0 66.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.484 ' C ' ' H ' ' A' ' 77' ' ' ARG . 15.6 tttp -55.32 -19.22 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -56.84 -6.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.362 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.484 ' H ' ' C ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -95.63 2.5 54.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -79.47 -147.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.66 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.715 ' ND1' ' H ' ' A' ' 80' ' ' SER . 10.9 t-80 -63.43 -143.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.828 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.715 ' H ' ' ND1' ' A' ' 79' ' ' HIS . 41.1 p -101.91 10.21 39.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.725 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.9 115.06 3.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.31 146.5 52.06 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.505 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.24 145.34 93.16 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.846 2.364 . . . . 0.0 112.473 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.452 ' O ' ' CB ' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -108.34 122.93 47.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.227 179.588 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' TYR . 19.7 t60 79.96 -38.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.359 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.458 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 15.6 mm-40 -70.58 -19.66 62.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.083 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -70.54 -25.41 63.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.647 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.475 ' O ' ' OD1' ' A' ' 91' ' ' ASP . 6.1 mm -67.24 -25.04 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.655 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 86' ' ' GLN . 2.6 m -68.32 -24.09 29.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.42 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.424 ' N ' HG22 ' A' ' 89' ' ' VAL . 33.0 mt-10 -78.65 -27.4 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.328 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' A' ' 92' ' ' TRP . 1.5 p-10 -60.37 -22.97 63.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.666 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 5.0 t-105 -62.33 -35.49 79.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.502 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -23.68 62.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.53 -44.06 65.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.788 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -75.6 -25.2 56.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.073 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.676 ' CZ ' ' OE1' ' A' ' 99' ' ' GLN . 22.1 t80 -78.13 -24.23 47.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.995 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -58.93 -32.25 69.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -56.63 -32.66 65.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.032 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.676 ' OE1' ' CZ ' ' A' ' 96' ' ' TYR . 41.8 tt0 -59.21 -48.8 80.28 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.77 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.7 pt -75.8 -39.31 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.537 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -32.77 63.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.071 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.22 -39.6 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -48.46 63.73 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.461 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.13 -36.47 84.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.04 -37.88 75.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.668 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -41.53 80.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.433 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -67.92 -37.46 81.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.431 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.33 73.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.3 m -57.88 -46.47 84.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.97 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -35.8 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.58 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -72.75 -27.64 62.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.08 -25.23 61.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -74.32 -48.61 27.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.833 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -24.95 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.63 -20.1 79.65 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -77.71 -19.91 54.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.491 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.422 ' C ' ' H ' ' A' ' 119' ' ' PHE . . . -106.11 64.48 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.527 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 119' ' ' PHE . . . -78.38 37.06 1.79 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 118' ' ' GLY . 0.0 OUTLIER -142.88 84.95 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.52 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -165.05 -171.97 2.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.446 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 33.2 mtp -107.78 157.56 18.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.325 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.55 143.67 68.43 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 C--N 1.309 -1.547 0 C-N-CA 122.613 2.209 . . . . 0.0 112.102 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.467 ' O ' ' OG ' ' A' ' 2' ' ' SER . 0.3 OUTLIER -105.09 81.19 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.577 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 t -63.01 -18.94 63.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mp -58.05 -35.27 71.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.9 p -57.49 -38.63 74.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.129 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -71.65 -32.7 68.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.982 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.34 -41.75 98.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.292 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.1 m -55.39 -40.47 71.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.273 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -73.14 -37.48 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.253 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 m -64.03 -47.58 79.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.42 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 tt -55.85 -38.93 70.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 3.4 tp10 -59.53 -36.44 76.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.425 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.97 -37.15 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.569 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.47 -47.62 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.231 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 17.2 t80 -63.05 -33.42 75.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.942 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.609 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.1 mmp_? -64.13 -43.59 94.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.191 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 21' ' ' THR . 26.1 ttt180 -76.49 -34.18 58.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.304 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.65 ' O ' ' N ' ' A' ' 22' ' ' TYR . 1.1 tt -60.8 -33.63 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.439 ' N ' HG22 ' A' ' 18' ' ' ILE . 56.1 t80 -72.01 -52.67 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.184 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.431 HD13 HH12 ' A' ' 16' ' ' ARG . 66.9 mt -65.13 -37.46 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 85.6 m -74.81 -38.26 62.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.003 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.65 ' N ' ' O ' ' A' ' 18' ' ' ILE . 21.1 t80 -60.36 -52.9 63.27 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.961 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.2 ttt -63.17 -26.83 68.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.571 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.29 -40.64 62.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.732 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.53 ' OD1' ' O ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -64.18 -40.82 96.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.665 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.487 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 7.6 t-105 -56.8 -47.43 80.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.734 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -81.59 -21.05 38.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.744 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -55.95 -43.26 77.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.804 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -50.6 72.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.758 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 p -54.71 -37.03 65.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.544 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.46 -33.51 68.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.482 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -70.39 -46.42 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.23 -43.63 73.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.63 -37.22 79.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.17 -42.11 65.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.9 mt -69.59 -48.35 60.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.308 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -60.85 -38.45 85.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.0 -34.46 77.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.507 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' A' ' 42' ' ' ASP . 24.7 mttm -81.66 -44.99 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.464 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.1 t -47.5 -15.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.436 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 40' ' ' LYS . 7.0 t0 64.36 62.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.754 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.55 -10.79 60.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.287 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' C ' ' A' ' 45' ' ' ASN . 3.3 tt0 -57.67 -49.71 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.469 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.546 ' C ' ' O ' ' A' ' 44' ' ' GLU . 10.7 t-20 26.7 92.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.638 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 3.0 p90 -71.78 -26.69 62.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -30.94 69.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 22.2 t80 -65.67 -37.7 87.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.44 -41.89 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.4 mt -72.31 -33.8 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.298 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.0 -37.17 78.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.651 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -74.41 -43.52 55.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.6 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.25 -40.66 77.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.647 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.6 ttp -51.58 -43.88 62.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.74 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.0 m -78.56 -35.59 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -34.82 78.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.52 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.65 -42.18 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.438 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.61 -40.08 69.09 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 ttt -68.98 -43.91 73.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.325 . . . . 0.0 110.445 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -60.74 -42.5 97.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.382 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 m -58.05 -33.17 68.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.309 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.42 -44.53 96.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.533 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.08 -42.73 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.564 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.6 mt -57.97 -37.2 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.476 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.5 t -71.32 -31.55 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.213 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.26 66.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.473 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 68' ' ' LEU . 6.6 tt -64.41 -39.93 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.165 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.54 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 1.6 mt -66.45 -46.6 75.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.778 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.32 -38.9 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.484 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.612 ' HG ' ' N ' ' A' ' 71' ' ' THR . 92.2 p -70.07 -47.83 60.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.939 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.612 ' N ' ' HG ' ' A' ' 70' ' ' SER . 29.5 m -62.88 -31.06 72.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.608 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.54 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 71.6 t -74.69 -49.65 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.247 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -29.35 69.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.9 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 1.1 m -66.9 -40.57 87.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -70.65 -28.66 64.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.27 -29.98 70.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.796 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.47 87.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.615 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' A' ' 80' ' ' SER . 3.8 tp10 -176.03 92.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.76 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.3 11.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.398 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.693 ' HG ' ' H ' ' A' ' 81' ' ' ASN . 29.3 t -130.82 -120.6 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.555 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.693 ' H ' ' HG ' ' A' ' 80' ' ' SER . 1.7 p30 -149.03 -86.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.62 148.97 57.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.592 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -68.52 154.21 72.16 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.654 2.236 . . . . 0.0 111.88 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -96.64 138.56 34.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.937 -179.658 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 84' ' ' TYR . 12.2 m80 -143.07 167.97 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.595 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -19.21 61.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.004 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -89.99 -40.69 12.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.077 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.441 HG23 HD11 ' A' ' 88' ' ' ILE . 85.2 mt -58.61 -40.24 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.757 0.313 . . . . 0.0 110.542 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.6 p -69.66 -43.92 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -60.12 -35.03 74.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.381 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -24.47 59.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.489 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.47 ' CZ3' ' HG3' ' A' ' 93' ' ' GLN . 4.1 t90 -76.68 -43.3 38.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.47 ' HG3' ' CZ3' ' A' ' 92' ' ' TRP . 2.1 mt-30 -51.79 -24.27 5.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.321 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.89 -46.3 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.32 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -75.39 -24.36 57.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -58.95 -47.26 85.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.45 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -55.23 -32.81 62.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.991 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 t -74.12 -39.74 63.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.28 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -47.87 84.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.404 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.65 -36.39 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.929 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.46 -38.74 72.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.797 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -73.13 -39.41 65.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.643 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.69 -37.55 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.02 -37.95 81.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.219 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -72.68 -32.97 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.189 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.6 t -51.78 -46.63 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.314 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -54.51 -35.81 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.273 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 107' ' ' LYS . . . -72.13 -33.61 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 111.062 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.4 m -60.73 -46.6 89.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.28 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.17 -42.85 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.145 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.544 ' N ' ' HD1' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -64.42 -28.26 69.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.13 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.54 -21.83 55.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.939 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.495 ' C ' HD21 ' A' ' 113' ' ' ASN . 0.2 OUTLIER -53.79 -43.5 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.81 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 115' ' ' GLY . 2.1 pp -82.79 -35.84 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.671 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.424 ' N ' HG13 ' A' ' 114' ' ' ILE . . . -62.17 -22.38 62.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.74 -53.34 34.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.58 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 66.39 98.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.732 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 98.09 93.02 1.96 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 2.1 p90 -152.49 88.8 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.318 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.76 70.89 1.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.64 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.5 ptm -152.12 142.58 22.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.17 149.62 91.93 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 C--N 1.305 -1.72 0 C-N-CA 122.74 2.293 . . . . 0.0 112.061 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.446 ' O ' ' OG ' ' A' ' 2' ' ' SER . 39.0 p -108.75 79.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.457 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -55.61 -22.96 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.65 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 mt -53.37 -36.24 61.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.595 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.66 -46.86 20.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.517 ' N ' HD21 ' A' ' 6' ' ' ASN . 1.1 m-80 -59.96 -31.76 70.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -55.54 -25.39 37.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.667 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.5 m -52.09 -34.06 42.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.163 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -59.67 -32.48 70.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.074 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.3 m -75.73 -32.82 60.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.474 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -56.54 -43.14 79.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.951 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.65 -37.03 57.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.382 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.89 -37.84 82.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.33 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.55 -47.12 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.725 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -58.44 -33.17 69.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.507 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -47.86 64.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.238 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.544 ' O ' ' OG1' ' A' ' 21' ' ' THR . 10.9 mtp180 -71.8 -34.25 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.364 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 22' ' ' TYR . 1.6 mm -58.84 -33.63 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -72.01 -52.63 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.062 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.6 mm -65.37 -36.87 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.544 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 27.5 m -74.63 -38.07 62.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.871 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 18' ' ' ILE . 28.7 t80 -62.95 -52.82 61.54 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.879 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -61.46 -26.98 68.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.788 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -41.15 61.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.227 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 29' ' ' ASN . 1.4 m-80 -61.82 -35.4 78.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.199 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -53.79 -40.16 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.092 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.456 ' NH1' ' HB2' ' A' ' 27' ' ' ARG . 13.9 ttp-105 -72.86 -36.21 67.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.396 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' O ' ' OG1' ' A' ' 31' ' ' THR . 3.7 tt0 -80.59 -19.76 44.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.345 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 25' ' ' ASN . 3.3 t30 -55.33 -16.94 3.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.62 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.403 ' H ' HG21 ' A' ' 30' ' ' THR . 1.5 t -56.16 -39.06 71.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -65.37 -37.39 86.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.21 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.44 -33.75 73.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.196 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.44 -38.37 89.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -40.27 68.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -64.49 -44.69 90.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.101 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.65 76.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.377 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tp -60.05 -44.07 94.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -60.96 -32.81 72.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.655 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.58 -21.72 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.378 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' A' ' 42' ' ' ASP . 4.7 ttpt -66.89 -11.84 57.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 41' ' ' VAL . 3.5 p -74.52 34.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.506 ' H ' ' C ' ' A' ' 40' ' ' LYS . 23.6 t0 -92.34 100.03 12.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.495 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.61 -9.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.753 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.507 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 3.6 mm-40 -61.77 -34.14 75.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -84.79 37.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.316 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -53.02 -32.36 46.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.961 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.507 ' CZ ' ' O ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -64.81 -30.14 71.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.943 -179.63 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -73.35 -26.92 61.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.84 -47.63 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.5 pt -64.77 -33.15 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.92 -45.87 84.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.925 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -40.54 90.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.584 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 tp -63.11 -36.2 82.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.9 ttm -61.91 -40.73 96.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.8 t -58.53 -41.72 82.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.3 ttt -56.13 -53.65 54.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.354 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mm -58.02 -37.96 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.34 -45.48 95.87 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.1 mmt -56.27 -38.95 71.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.28 -42.38 91.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.524 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -38.14 88.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.434 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -38.28 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.561 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.19 -47.16 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 mt -61.0 -45.79 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.93 -35.67 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.531 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.18 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.451 HD13 HG21 ' A' ' 67' ' ' ILE . 50.6 mm -75.06 -35.05 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.3 mt -70.51 -46.58 63.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.012 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.2 m -57.75 -38.77 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.5 p -70.77 -48.07 56.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.904 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.7 p -56.74 -31.13 64.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.423 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 53.9 t -74.85 -46.97 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.144 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -69.31 -29.39 67.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.868 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 p -54.74 -27.01 37.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.558 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -73.0 -7.03 49.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -61.09 -20.11 62.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -82.96 -13.89 55.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -112.18 144.09 42.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.703 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.17 170.56 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.557 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.36 176.56 7.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.651 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -145.45 -49.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.436 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.23 143.71 28.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.389 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.51 147.76 94.66 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.559 2.173 . . . . 0.0 111.956 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.686 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 2.4 m-85 -95.74 125.54 40.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.635 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.686 ' CG ' ' O ' ' A' ' 84' ' ' TYR . 7.3 m-70 -176.08 -96.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -19.57 61.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.609 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -78.63 6.05 9.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 mm -52.71 -35.71 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.477 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.425 HG23 HE21 ' A' ' 93' ' ' GLN . 1.3 p -71.27 -23.31 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.328 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.45 -42.3 91.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.268 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -39.27 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -65.36 -41.33 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.089 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.425 HE21 HG23 ' A' ' 89' ' ' VAL . 3.4 mt-30 -72.06 -28.09 63.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.432 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -46.54 36.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.777 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -64.92 -24.42 67.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.505 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.19 -39.34 63.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.131 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -40.82 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.291 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -32.7 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.494 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -47.39 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.547 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -72.53 -41.21 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.406 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.4 tp -57.57 -34.45 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -69.61 -34.38 74.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.76 -47.06 86.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.687 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -52.12 -36.73 52.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.61 -43.09 97.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.46 ' O ' ' OG1' ' A' ' 109' ' ' THR . 0.3 OUTLIER -61.19 -38.24 85.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.601 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -58.77 -39.19 80.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.55 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.75 71.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.561 ' HG1' ' N ' ' A' ' 110' ' ' ILE . 30.5 p -61.74 -44.5 96.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.466 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.561 ' N ' ' HG1' ' A' ' 109' ' ' THR . 2.5 mt -62.21 -34.27 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -65.83 -27.52 68.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.79 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -77.5 -47.98 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.589 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -58.71 -45.0 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.863 -179.677 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.66 -33.22 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.67 -19.69 36.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.12 -14.35 54.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.757 0.313 . . . . 0.0 110.699 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -103.91 14.93 29.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 174.72 102.53 0.16 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.537 ' CD1' ' C ' ' A' ' 119' ' ' PHE . 0.7 OUTLIER -153.41 89.77 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 110.586 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.37 -65.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.564 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.45 136.93 42.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.583 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.55 150.31 81.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.586 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--N 1.306 -1.69 0 C-N-CA 123.102 2.535 . . . . 0.0 112.165 -179.821 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.566 ' O ' ' OD1' ' A' ' 6' ' ' ASN . 44.6 p -127.13 84.65 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.436 ' H ' ' HG1' ' A' ' 3' ' ' THR . 0.6 OUTLIER -62.13 -24.89 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.467 ' HG ' ' H ' ' A' ' 5' ' ' SER . 1.7 pp -72.0 -41.06 68.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.749 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.467 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 4.2 m -74.84 -40.25 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 2' ' ' SER . 7.2 m120 -61.07 -32.81 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -69.91 -46.32 65.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 p -65.78 -39.89 91.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.575 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -55.26 -29.79 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 m -61.65 -48.16 82.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.453 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.52 -37.68 76.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.711 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.617 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 2.3 mp0 -71.3 -35.71 71.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.553 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.43 -37.65 62.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.638 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -72.08 -45.83 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.8 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.75 -33.22 75.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.223 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -71.75 -41.08 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.979 179.573 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -35.6 81.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.104 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.564 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 48.0 mt -75.09 -32.64 27.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.526 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -72.05 -52.24 17.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.452 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.509 ' CG2' ' N ' ' A' ' 21' ' ' THR . 15.2 tt -61.88 -40.47 87.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.509 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 55.0 m -72.79 -38.12 67.36 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.574 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.564 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 24.2 t80 -64.13 -43.7 94.46 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.4 mtt -71.76 -27.14 62.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.688 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.26 -43.46 91.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -59.68 -34.93 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.756 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -63.87 -33.51 75.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' O ' ' OG1' ' A' ' 30' ' ' THR . 12.1 mtp180 -69.07 -28.25 66.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.479 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -58.9 -16.91 19.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.404 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -66.4 -44.47 82.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.054 -179.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -56.23 -43.99 79.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 -179.552 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.7 p -71.06 -34.65 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.873 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.18 -34.02 59.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.014 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.02 -48.03 47.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.806 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.07 -43.15 91.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.783 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.85 -39.66 66.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.031 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.99 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.31 -42.36 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.919 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.586 ' O ' ' O ' ' A' ' 41' ' ' VAL . 93.7 mt-30 -71.24 -23.23 61.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.23 -21.41 13.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.15 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -99.97 -32.52 10.93 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.333 -179.45 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.586 ' O ' ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -126.89 -166.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.862 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' VAL . 28.4 t70 23.42 51.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.614 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -74.62 -26.9 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.781 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.604 ' C ' HD21 ' A' ' 45' ' ' ASN . 2.7 mt-10 -65.5 -45.17 84.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.605 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.786 ' N ' HD21 ' A' ' 45' ' ' ASN . 0.4 OUTLIER 66.18 -37.07 0.26 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.781 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.602 ' H ' ' C ' ' A' ' 44' ' ' GLU . 1.3 m-85 -60.8 -47.12 87.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.568 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -65.37 -29.41 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.654 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.58 -42.23 98.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.782 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.34 -39.97 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.757 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.52 -34.39 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.715 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 tp -68.8 -43.67 75.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.405 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.414 ' CD2' ' SD ' ' A' ' 56' ' ' MET . 5.4 t80 -61.25 -41.14 96.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.395 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.4 mt -72.0 -37.38 69.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.466 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -44.48 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.686 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 56' ' ' MET . 57.8 t -65.2 -73.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.714 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' VAL . 57.7 mtp -36.76 -66.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.468 ' CG2' ' N ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -53.58 -39.03 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.797 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.468 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . -65.72 -43.04 94.91 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 ttt -66.93 -44.24 81.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 110.844 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -46.3 63.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.698 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 t -55.07 -32.92 62.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -35.8 74.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.33 -49.82 82.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.489 ' CD1' ' N ' ' A' ' 64' ' ' ILE . 1.3 mp -62.7 -38.18 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.543 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.72 -46.79 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.77 -47.95 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.8 mt -56.0 -35.21 40.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -63.12 -42.23 99.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.6 -179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.8 t -56.07 -44.73 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -48.24 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.0 m -59.83 -31.02 69.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.422 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' LEU . 24.5 t -74.5 -45.89 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.828 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -69.23 -29.84 67.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.768 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.85 -46.04 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.189 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -68.85 -39.12 80.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.333 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -70.21 -26.47 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.43 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 48.11 50.65 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.503 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -125.61 71.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -59.16 175.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.301 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.639 ' HG ' ' N ' ' A' ' 81' ' ' ASN . 11.7 t 175.47 -119.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.634 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.639 ' N ' ' HG ' ' A' ' 80' ' ' SER . 2.6 m120 -69.85 56.99 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.616 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.01 138.12 30.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.39 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -71.17 132.53 21.25 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.52 2.147 . . . . 0.0 112.064 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -91.24 112.17 23.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.621 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -161.24 66.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -54.01 -20.35 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.615 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -7.16 54.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.1 tt -57.45 -30.5 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.44 -30.47 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -74.12 -31.93 62.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.715 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -63.54 -35.92 82.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.693 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 96' ' ' TYR . 0.8 OUTLIER -62.66 -37.06 84.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -57.61 -32.09 66.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.271 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -75.43 -46.29 33.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.232 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -75.07 -24.63 58.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' TRP . 46.9 t80 -63.89 -21.43 66.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -73.03 -41.62 64.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.39 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -70.12 -39.43 75.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.449 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -58.0 -44.25 87.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.43 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.0 mm -64.18 -33.89 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.219 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -37.52 87.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.445 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -65.83 -43.53 88.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.364 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 103' ' ' LEU . 2.1 mm? -64.01 -35.17 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.409 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -50.82 -35.33 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.659 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -64.78 -40.84 95.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.455 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.473 ' O ' ' OG1' ' A' ' 109' ' ' THR . 1.3 t -58.33 -37.45 75.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.39 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -63.75 -36.8 85.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.253 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.49 -38.5 71.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.548 ' HG1' ' N ' ' A' ' 110' ' ' ILE . 40.1 p -63.27 -39.11 93.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.548 ' N ' ' HG1' ' A' ' 109' ' ' THR . 24.5 mt -59.24 -35.8 59.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.25 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -58.66 -27.57 64.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.349 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -27.9 67.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.55 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.94 -48.88 72.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.4 pp -84.3 -21.51 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.432 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -56.84 -21.88 38.79 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.57 -52.77 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.356 . . . . 0.0 110.46 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 70.13 103.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.582 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.24 98.82 2.42 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.57 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.5 OUTLIER -146.64 85.74 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.619 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 119' ' ' PHE . 16.4 tttp 35.02 29.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.651 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.569 ' N ' ' O ' ' A' ' 119' ' ' PHE . 13.4 ttt -86.81 126.72 34.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 m -79.39 145.58 64.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo . . . . . 0 C--N 1.308 -1.605 0 C-N-CA 122.641 2.227 . . . . 0.0 111.967 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.614 0.245 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -38.0 79.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.862 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.68 -46.45 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.59 -33.02 67.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -63.54 -45.8 88.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.791 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.562 ' O ' ' OG1' ' A' ' 21' ' ' THR . 18.0 ttp180 -72.42 -37.55 68.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.197 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.643 ' O ' ' N ' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -71.71 -33.5 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.443 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 26.7 t80 -70.99 -52.31 20.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.962 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.07 -39.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.562 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 50.1 m -74.63 -38.02 62.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.93 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.643 ' N ' ' O ' ' A' ' 18' ' ' ILE . 4.6 t80 -64.14 -41.92 97.0 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.5 mmm -69.78 -26.76 64.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.504 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.956 -179.646 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.861 0.363 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -59.75 -39.23 84.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.757 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.92 -37.27 72.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -46.47 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.671 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 m -81.49 -16.02 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.3 ttt -64.99 -70.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 58' ' ' GLY . 8.0 tp -70.02 -37.3 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.974 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' N ' HG23 ' A' ' 57' ' ' ILE . . . -53.9 -41.23 67.1 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.4 mmt -72.11 -42.89 65.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.702 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -37.51 87.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -70.85 -37.39 73.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -41.15 93.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.699 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.41 -48.77 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.449 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.2 mt -57.36 -42.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 69' ' ' VAL . 9.7 t -71.22 -36.36 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.617 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.91 -49.06 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.022 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.478 HD12 ' N ' ' A' ' 68' ' ' LEU . 2.1 pp -76.14 -34.8 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.115 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -56.29 -46.55 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 70' ' ' SER . 32.1 m -73.68 -38.76 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.685 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 69' ' ' VAL . 1.4 t -67.9 -41.65 82.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.899 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 67' ' ' ILE . 20.2 p -73.8 -30.93 63.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.74 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 68' ' ' LEU . 4.6 t -74.61 -49.64 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -66.84 -29.53 69.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.882 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.576 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.65 0.262 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.504 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER -75.07 -41.64 58.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.726 0.298 . . . . 0.0 110.96 -179.665 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.48 -24.9 63.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.001 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -69.75 -41.28 75.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.756 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.15 -24.21 58.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.354 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.504 ' OE2' ' O ' ' A' ' 90' ' ' GLU . 0.3 OUTLIER -75.35 -46.7 31.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -74.38 -24.61 59.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.007 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -26.33 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.301 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -72.79 -32.61 65.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.338 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -36.6 72.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.554 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.14 -47.25 81.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.499 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.02 -37.91 79.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.237 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.01 -41.67 86.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.411 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.26 -38.3 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.292 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.86 -42.03 79.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.449 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.54 -37.72 87.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.527 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.84 -35.9 81.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.46 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 p -59.65 -42.52 92.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.582 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -54.84 -41.21 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.622 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.02 -34.24 73.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -34.82 43.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.56 -41.03 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.929 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -62.22 -29.35 70.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.68 -46.09 84.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.051 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -65.05 -37.56 87.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 t -74.58 -43.76 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -70.9 -33.25 70.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.782 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -69.51 -40.4 77.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.436 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.9 OUTLIER -75.68 -42.72 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.152 179.674 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.598 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 9.0 mt -58.34 -33.73 48.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.394 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -72.02 -51.28 22.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.568 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.67 -44.13 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 7.9 p -74.4 -38.02 63.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.274 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 t80 -57.0 -50.44 72.72 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.698 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -26.94 66.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.9 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.854 -179.768 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.9 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.747 0.308 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -41.68 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.689 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.3 tt -61.5 -37.8 85.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.687 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.428 ' N ' HD23 ' A' ' 53' ' ' LEU . 3.4 ttt -63.61 -37.71 88.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.525 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 56' ' ' MET . 42.5 t -71.5 -68.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.498 ' C ' ' O ' ' A' ' 55' ' ' VAL . 1.6 tmm? -32.79 -66.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.212 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.8 mm -55.98 -41.04 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.11 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -57.24 -37.09 78.81 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.0 mmt -67.69 -43.19 80.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 110.106 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.32 -46.03 90.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.318 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -54.67 -32.71 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.457 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -78.53 -36.65 44.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.57 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.8 mt -55.9 -47.68 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.716 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 65' ' ' VAL . 21.9 pt -70.67 -30.41 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 61' ' ' SER . 59.2 t -70.52 -43.99 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.722 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.78 76.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.746 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.23 -45.07 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 72' ' ' VAL . 42.7 mt -61.73 -45.66 92.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.56 -38.85 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.789 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.1 m -67.97 -43.88 77.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.091 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.4 m -71.62 -30.5 65.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.656 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 68' ' ' LEU . 11.0 t -74.98 -49.76 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.54 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -29.15 67.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.662 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.867 0.365 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.88 -30.85 40.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.706 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.9 -26.53 60.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.05 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -74.26 -42.71 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.677 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -57.55 -31.72 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.728 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -75.03 -46.29 35.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.09 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -71.01 -24.59 62.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.814 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 100' ' ' ILE . 12.6 t80 -76.68 -33.2 58.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.384 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 100' ' ' ILE . 47.3 tttm -74.46 -43.9 54.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.651 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -43.22 69.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.584 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -43.62 78.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.485 HD11 ' CZ ' ' A' ' 96' ' ' TYR . 25.6 mt -63.64 -34.16 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.342 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.7 -35.95 75.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.409 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -70.82 -47.17 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.1 -39.32 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.53 -46.32 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.07 -39.49 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.548 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.553 ' O ' HG22 ' A' ' 110' ' ' ILE . 0.6 OUTLIER -52.55 -36.79 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.424 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -56.44 -36.07 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.622 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.12 -43.23 61.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.2 p -62.66 -49.47 75.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.691 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 106' ' ' SER . 16.6 tt -65.18 -35.12 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -66.07 -29.1 69.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.72 -24.2 65.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.463 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.534 ' C ' ' OD1' ' A' ' 113' ' ' ASN . 25.6 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.517 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 22.6 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.795 0.331 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -56.26 -38.32 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.651 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -76.76 -46.47 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.97 -33.3 75.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.677 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' GLU . 57.3 ttp180 -62.84 -42.58 99.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.415 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.498 ' O ' ' OG1' ' A' ' 21' ' ' THR . 8.8 mmm180 -76.82 -35.49 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.709 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 22' ' ' TYR . 29.6 mt -67.76 -32.76 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -70.37 -52.81 19.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.379 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.73 -37.28 79.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 85.1 m -74.2 -37.7 63.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.69 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 18' ' ' ILE . 1.3 t80 -67.29 -53.15 32.45 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.063 0.459 . . . . 0.0 110.113 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 mmm -62.1 -27.3 68.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.133 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 55' ' ' VAL . 3.9 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.955 0.407 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -38.79 92.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.652 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -36.57 84.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.056 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 54' ' ' MET . 5.2 tpt -59.7 -51.35 70.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.066 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.455 ' H ' HG13 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -73.25 -16.05 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.804 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.0 ttp -75.83 -69.64 0.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 58' ' ' GLY . 8.3 tt -53.61 -39.26 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.452 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.46 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . -61.53 -45.61 96.01 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.3 mmm -55.62 -41.75 73.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.466 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -57.47 -38.5 74.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.464 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.2 p -74.16 -39.89 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.459 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.51 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 47.8 t80 -60.78 -36.16 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.3 mt -73.0 -38.54 56.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.577 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.55 -48.92 78.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' ' 69' ' ' VAL . 13.7 p -71.2 -33.23 50.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.806 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 62' ' ' PHE . . . -56.59 -46.35 80.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 71' ' ' THR . 38.1 pt -76.13 -34.88 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.849 0.356 . . . . 0.0 110.764 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.83 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.3 tp -58.64 -46.75 86.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.459 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 65' ' ' VAL . 18.4 m -66.43 -38.76 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.999 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -47.76 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 109.946 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 67' ' ' ILE . 71.9 p -61.49 -30.49 70.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.678 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 68' ' ' LEU . 45.0 t -73.44 -49.27 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.157 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -64.36 -29.5 70.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.065 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 71' ' ' THR . 88.2 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.933 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.917 0.389 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -35.73 57.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.22 -36.41 82.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.729 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -40.35 72.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.749 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.71 -23.77 65.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -73.66 -46.25 47.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.153 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -74.87 -24.16 58.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.813 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -62.67 -21.64 65.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.812 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 98' ' ' SER . 3.8 pttt -74.5 -38.85 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.921 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.464 ' N ' ' CG ' ' A' ' 97' ' ' LYS . 0.3 OUTLIER -53.71 -33.04 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 -179.764 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -65.66 -44.28 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.732 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.7 mm -69.51 -33.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 101' ' ' LEU . 15.5 tp -59.11 -43.03 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.835 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -53.94 -38.05 64.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -68.57 -38.72 80.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -54.55 -41.82 70.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.699 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -58.95 -40.06 83.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.722 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.34 -38.06 89.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.757 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -41.92 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.58 -34.69 60.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.5 m -61.74 -48.81 79.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 111' ' ' HIS . 49.2 pt -67.29 -34.29 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.74 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.465 ' N ' HG13 ' A' ' 110' ' ' ILE . 38.8 t60 -60.98 -37.39 82.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.703 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.462 ' CA ' ' OE1' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -69.18 -26.42 64.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.587 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.802 0.334 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.04 -38.44 79.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.401 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.76 -44.81 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -65.22 -33.28 75.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.635 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' GLU . 22.1 ttt-85 -67.01 -38.69 86.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.096 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -36.67 59.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.135 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.66 ' O ' ' N ' ' A' ' 22' ' ' TYR . 28.2 mt -64.24 -32.55 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.702 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -52.81 21.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.44 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.7 mm -64.48 -36.96 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.2 m -74.81 -38.13 62.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.611 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.66 ' N ' ' O ' ' A' ' 18' ' ' ILE . 3.2 t80 -67.9 -52.81 32.03 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.801 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.5 mmm -60.15 -27.49 67.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.738 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.201 179.78 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.9 tp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.79 0.328 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -70.99 -40.76 71.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.491 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.27 -36.39 83.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.62 -48.47 74.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.1 t -54.77 -69.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mmt -42.33 -45.34 4.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.668 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.34 -42.41 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.43 -42.38 82.08 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 mtm -66.57 -41.62 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.457 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -70.07 -38.17 75.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.715 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -33.63 75.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -40.02 91.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.483 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.71 -50.02 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.317 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.6 mm -61.04 -31.83 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.193 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.638 ' O ' HG13 ' A' ' 69' ' ' VAL . 12.5 t -70.99 -44.52 75.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -55.4 -46.45 76.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.083 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 68' ' ' LEU . 40.6 pt -67.91 -37.93 79.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.072 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.736 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.9 OUTLIER -56.42 -42.39 77.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.561 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.638 HG13 ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -62.78 -38.67 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.381 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 0.4 OUTLIER -70.02 -47.67 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.969 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.4 p -65.62 -30.75 71.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.615 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 68' ' ' LEU . 39.0 t -72.88 -48.69 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.115 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -69.72 -29.54 66.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.134 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.841 -179.72 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 90' ' ' GLU . 35.5 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.77 0.319 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.449 ' N ' HG23 ' A' ' 89' ' ' VAL . 40.9 tt0 -78.31 -35.25 48.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.596 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.19 -41.9 69.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.64 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.9 t90 -74.3 -44.17 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -62.99 -30.55 71.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.147 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.33 -42.42 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.92 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.49 -24.29 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.989 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -62.75 -23.86 67.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.449 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -68.52 -43.49 76.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.789 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -32.56 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -55.52 -39.33 70.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.133 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.461 HG12 ' N ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -64.82 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.87 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.461 ' N ' HG12 ' A' ' 100' ' ' ILE . 1.4 tp -54.68 -43.7 72.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -61.35 -33.34 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.4 tp -48.72 -44.64 38.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.267 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -34.75 69.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.29 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.0 -38.93 77.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.368 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.8 t -52.0 -36.92 51.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.393 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -62.9 -41.87 99.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.124 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -36.84 78.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.11 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 m -62.43 -39.62 93.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.097 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.2 mm -56.77 -41.97 76.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.013 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -30.55 71.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.116 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -71.7 -28.47 63.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.43 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.767 0.317 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.7 -39.65 85.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.211 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -77.03 -47.13 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.689 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -33.3 71.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.584 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -55.62 -44.39 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.271 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -77.02 -36.33 56.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.657 ' O ' ' N ' ' A' ' 22' ' ' TYR . 96.3 mt -64.75 -33.47 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.735 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -71.2 -51.61 23.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mm -61.89 -39.96 85.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.2 m -74.77 -38.02 62.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.207 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.657 ' N ' ' O ' ' A' ' 18' ' ' ILE . 75.9 t80 -74.19 -53.27 10.19 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.174 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -59.38 -27.18 65.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.817 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 24' ' ' ASP . 1.7 t0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.389 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.754 0.312 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -70.87 -40.81 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.42 -41.0 65.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.647 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.9 ttp -65.26 -31.85 73.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.767 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.7 t -75.67 -25.42 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.9 ttt -66.81 -58.55 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.757 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.6 mm -53.71 -42.67 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.531 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.45 -36.57 89.74 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.2 tpt -62.84 -44.13 96.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.657 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.01 -38.34 72.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.377 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.67 64.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.548 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -63.74 -47.83 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.987 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.664 HG23 ' N ' ' A' ' 64' ' ' ILE . 15.2 tt -75.54 -50.45 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.664 ' N ' HG23 ' A' ' 63' ' ' ILE . 82.4 mt -52.03 -54.94 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.803 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.1 p -57.7 -30.99 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 63' ' ' ILE . . . -55.72 -46.62 77.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.458 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.0 mt -63.85 -39.63 86.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.7 mm? -55.22 -42.29 73.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.344 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 65' ' ' VAL . 24.4 t -62.43 -39.24 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.495 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -47.61 63.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.693 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.0 p -64.69 -31.81 73.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.526 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 68' ' ' LEU . 19.4 t -75.38 -49.52 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.039 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -67.96 -29.68 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.937 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.489 179.821 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.818 0.342 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.32 -38.73 55.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.538 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -25.83 68.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.635 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.471 ' O ' ' CB ' ' A' ' 96' ' ' TYR . 58.6 t90 -59.22 -44.28 92.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -65.45 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.078 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.52 -46.42 32.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.112 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -75.59 -24.62 56.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.19 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.471 ' CB ' ' O ' ' A' ' 92' ' ' TRP . 33.6 t80 -70.92 -37.84 72.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.708 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -66.44 -33.99 76.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.7 t -73.98 -32.74 63.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.06 -45.63 86.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.19 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -74.12 -34.3 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.212 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.4 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.8 OUTLIER -61.3 -40.6 94.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 -179.593 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -60.7 -31.86 71.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.941 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.46 -36.56 73.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.94 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -70.77 -49.17 49.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.936 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.21 -33.18 70.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -66.01 -43.3 88.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.815 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -55.25 -41.6 72.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.58 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.74 -40.7 72.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.512 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.1 m -62.54 -39.1 92.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.617 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.08 -39.08 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.423 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.461 ' HD1' ' C ' ' A' ' 111' ' ' HIS . 8.7 t-80 -59.98 -36.67 77.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.258 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -58.44 -46.63 86.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.221 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.417 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 2.6 mm-40 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.767 0.317 . . . . 0.0 110.722 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -62.81 -37.91 88.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.4 t -76.38 -47.17 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.19 -33.63 76.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.345 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 7.3 tmm_? -68.22 -43.26 78.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.891 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.546 ' O ' ' OG1' ' A' ' 21' ' ' THR . 5.8 ttm-85 -63.75 -39.27 93.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.374 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.654 ' O ' ' N ' ' A' ' 22' ' ' TYR . 68.1 mt -63.44 -32.75 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 110.709 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -52.41 19.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.151 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.36 -36.83 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.546 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 31.1 m -74.45 -38.36 63.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.57 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.654 ' N ' ' O ' ' A' ' 18' ' ' ILE . 9.6 t80 -60.72 -52.16 66.28 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.1 mtp -58.16 -26.99 63.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.397 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.478 179.806 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.942 0.401 . . . . 0.0 110.485 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -71.88 -37.23 70.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.711 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' O ' HG22 ' A' ' 57' ' ' ILE . 1.9 tp -51.74 -38.3 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.09 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.3 mmt -56.27 -42.27 77.18 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.683 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.5 t -73.17 -47.34 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.792 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.0 ttt -48.14 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.766 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.546 HG23 ' N ' ' A' ' 58' ' ' GLY . 13.0 tt -61.0 -43.3 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.731 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.546 ' N ' HG23 ' A' ' 57' ' ' ILE . . . -55.09 -42.18 80.51 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.407 ' O ' HD13 ' A' ' 63' ' ' ILE . 3.6 tpt -58.65 -41.14 85.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.481 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -54.05 -36.51 63.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 m -68.0 -32.81 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.646 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -33.26 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.782 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 59' ' ' MET . 1.7 mp -74.08 -45.54 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.836 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.561 ' CG2' ' N ' ' A' ' 65' ' ' VAL . 6.0 tt -59.36 -44.36 92.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.66 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.561 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -70.25 -30.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.571 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.69 -46.73 81.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.4 mt -63.59 -45.39 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.702 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.6 tp -54.84 -39.02 68.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.37 -39.1 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -47.84 57.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.902 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.7 m -65.28 -31.49 72.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.822 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 68' ' ' LEU . 24.1 t -74.91 -49.85 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.243 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -66.1 -29.36 69.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.06 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.803 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.857 0.361 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.42 -37.05 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.524 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.62 -41.19 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -79.65 -37.86 35.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.706 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -65.45 -25.01 67.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.65 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -45.85 35.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.429 . . . . 0.0 110.089 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -67.45 -23.81 65.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.901 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -76.85 -37.67 55.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.64 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -57.61 -34.71 69.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.4 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.521 ' O ' ' CG ' ' A' ' 102' ' ' ASN . 3.8 p -63.06 -36.43 83.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.434 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.26 -40.48 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.6 mt -57.79 -42.85 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.663 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.38 -45.46 65.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.521 ' CG ' ' O ' ' A' ' 98' ' ' SER . 4.0 m-20 -58.07 -46.91 84.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.79 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.22 -35.6 49.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.89 -43.84 94.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.481 ' O ' ' OE1' ' A' ' 105' ' ' GLU . 8.1 tp10 -75.62 -36.7 60.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.044 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.55 ' O ' ' OG1' ' A' ' 109' ' ' THR . 0.9 OUTLIER -66.34 -46.49 76.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.026 -179.523 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.514 ' O ' ' ND1' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -60.88 -37.42 82.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.819 -179.699 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 107' ' ' LYS . . . -58.29 -36.57 73.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.55 ' OG1' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER -64.31 -49.68 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.765 -179.648 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.585 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.5 mp -58.02 -36.82 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.54 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 107' ' ' LYS . 3.3 m80 -67.01 -43.64 82.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.432 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.05 -32.09 70.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.677 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.759 -179.827 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.4 tp10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.852 0.358 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.65 -37.72 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.38 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.457 ' HA ' HH12 ' A' ' 17' ' ' ARG . 29.1 t -68.91 -47.06 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.82 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -68.45 -33.04 73.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.313 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' GLU . 2.0 ttm180 -70.11 -40.31 74.96 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.023 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.522 ' O ' ' OG1' ' A' ' 21' ' ' THR . 17.6 ttm105 -69.96 -34.05 72.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.968 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.661 ' O ' ' N ' ' A' ' 22' ' ' TYR . 61.2 mt -69.94 -33.26 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.547 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -52.72 19.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.205 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 pp -64.13 -37.82 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 63.4 m -74.58 -37.67 62.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.76 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.661 ' N ' ' O ' ' A' ' 18' ' ' ILE . 52.4 t80 -67.8 -53.07 29.94 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.349 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 0.9 OUTLIER -60.12 -26.89 66.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.407 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.509 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 35.4 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.648 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.812 0.339 . . . . 0.0 110.23 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -71.64 -42.02 68.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.0 tp -65.0 -42.71 94.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' A' ' 54' ' ' MET . 17.9 tmm? -58.25 -28.44 64.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.377 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 51' ' ' LEU . 59.2 t -76.82 -68.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.648 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.5 mtp -42.8 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.0 mm -53.87 -42.76 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.06 95.09 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.626 ' SD ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.4 -42.13 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.643 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -64.43 -44.51 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.6 m -58.49 -33.23 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.982 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.38 -45.09 92.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.776 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.99 -47.01 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.19 -50.61 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.58 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.6 t -53.8 -43.58 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.3 -49.78 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.5 mt -61.19 -45.55 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 72' ' ' VAL . 4.4 mp -60.22 -39.97 88.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.813 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.1 t -56.24 -39.3 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.753 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -47.65 58.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -30.84 70.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.947 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.9 t -72.86 -49.87 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.297 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -69.93 -29.4 66.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.909 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.593 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.782 0.325 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -78.65 -27.4 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.328 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' A' ' 92' ' ' TRP . 1.5 p-10 -60.37 -22.97 63.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.666 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 5.0 t-105 -62.33 -35.49 79.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.502 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -23.68 62.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.53 -44.06 65.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.788 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -75.6 -25.2 56.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.073 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.676 ' CZ ' ' OE1' ' A' ' 99' ' ' GLN . 22.1 t80 -78.13 -24.23 47.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.995 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -58.93 -32.25 69.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -56.63 -32.66 65.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.032 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.676 ' OE1' ' CZ ' ' A' ' 96' ' ' TYR . 41.8 tt0 -59.21 -48.8 80.28 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.77 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.445 HG12 ' H ' ' A' ' 100' ' ' ILE . 6.7 pt -75.8 -39.31 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.537 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.632 ' O ' HD23 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -55.78 -32.77 63.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.071 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.22 -39.6 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -48.46 63.73 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.461 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.13 -36.47 84.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.04 -37.88 75.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.668 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -41.53 80.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.433 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -67.92 -37.46 81.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.431 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.33 73.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.3 m -57.88 -46.47 84.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.97 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -35.8 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.58 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -72.75 -27.64 62.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.08 -25.23 61.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.833 -179.754 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 3.4 tp10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.985 0.421 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.97 -37.15 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.569 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.47 -47.62 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.231 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 17.2 t80 -63.05 -33.42 75.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.942 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.609 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.1 mmp_? -64.13 -43.59 94.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.191 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 21' ' ' THR . 26.1 ttt180 -76.49 -34.18 58.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.304 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.65 ' O ' ' N ' ' A' ' 22' ' ' TYR . 1.1 tt -60.8 -33.63 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -72.01 -52.67 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.184 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.13 -37.46 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 85.6 m -74.81 -38.26 62.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.003 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.65 ' N ' ' O ' ' A' ' 18' ' ' ILE . 21.1 t80 -60.36 -52.9 63.27 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.961 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.2 ttt -63.17 -26.83 68.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.571 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.732 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.2 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -74.41 -43.52 55.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.6 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.25 -40.66 77.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.647 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.6 ttp -51.58 -43.88 62.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.74 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.0 m -78.56 -35.59 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -34.82 78.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.52 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.65 -42.18 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.438 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.61 -40.08 69.09 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 ttt -68.98 -43.91 73.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.325 . . . . 0.0 110.445 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -60.74 -42.5 97.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.382 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 m -58.05 -33.17 68.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.309 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.42 -44.53 96.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.533 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 63' ' ' ILE . 1.7 mp -57.08 -42.73 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.6 mt -57.97 -37.2 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.476 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.5 t -71.32 -31.55 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.213 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.26 66.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.473 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 68' ' ' LEU . 6.6 tt -64.41 -39.93 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.165 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.915 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.6 mt -66.45 -46.6 75.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.778 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.32 -38.9 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.484 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.2 p -70.07 -47.83 60.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.939 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.5 m -62.88 -31.06 72.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.608 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 68' ' ' LEU . 71.6 t -74.69 -49.65 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.247 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -29.35 69.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.9 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.866 -179.853 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 90' ' ' GLU . 6.6 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.499 ' N ' HG13 ' A' ' 89' ' ' VAL . 19.8 mt-10 -60.12 -35.03 74.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.381 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -24.47 59.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.489 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.476 ' CZ3' ' HG3' ' A' ' 93' ' ' GLN . 4.1 t90 -76.68 -43.3 38.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.476 ' HG3' ' CZ3' ' A' ' 92' ' ' TRP . 2.1 mt-30 -51.79 -24.27 5.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.321 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.89 -46.3 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.32 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -75.39 -24.36 57.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -58.95 -47.26 85.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.45 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -55.23 -32.81 62.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.991 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 t -74.12 -39.74 63.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.28 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -47.87 84.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.404 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.65 -36.39 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.929 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.46 -38.74 72.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.797 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -73.13 -39.41 65.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.643 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.69 -37.55 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.02 -37.95 81.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.219 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -72.68 -32.97 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.189 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.6 t -51.78 -46.63 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.314 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -54.51 -35.81 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.273 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 107' ' ' LYS . . . -72.13 -33.61 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 111.062 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.4 m -60.73 -46.6 89.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.28 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.17 -42.85 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.145 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.42 ' ND1' ' N ' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -64.42 -28.26 69.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.13 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.54 -21.83 55.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.939 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.81 -179.606 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.903 0.382 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.89 -37.84 82.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.33 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.55 -47.12 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.725 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -58.44 -33.17 69.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.507 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -47.86 64.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.238 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.544 ' O ' ' OG1' ' A' ' 21' ' ' THR . 10.9 mtp180 -71.8 -34.25 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.364 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 22' ' ' TYR . 1.6 mm -58.84 -33.63 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -72.01 -52.63 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.062 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.6 mm -65.37 -36.87 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.544 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 27.5 m -74.63 -38.07 62.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.871 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 18' ' ' ILE . 28.7 t80 -62.95 -52.82 61.54 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.879 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.497 ' O ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -61.46 -26.98 68.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.788 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.227 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.6 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.718 0.294 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -40.54 90.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.584 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 tp -63.11 -36.2 82.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.9 ttm -61.91 -40.73 96.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 51' ' ' LEU . 18.8 t -58.53 -41.72 82.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.3 ttt -56.13 -53.65 54.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.354 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mm -58.02 -37.96 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.34 -45.48 95.87 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.1 mmt -56.27 -38.95 71.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.28 -42.38 91.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.524 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -38.14 88.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.434 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -38.28 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.561 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.19 -47.16 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 mt -61.0 -45.79 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.93 -35.67 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.531 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.18 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 71' ' ' THR . 50.6 mm -75.06 -35.05 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 72' ' ' VAL . 72.3 mt -70.51 -46.58 63.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.012 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 70' ' ' SER . 27.2 m -57.75 -38.77 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 69' ' ' VAL . 24.5 p -70.77 -48.07 56.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.904 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 67' ' ' ILE . 24.7 p -56.74 -31.13 64.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.423 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 68' ' ' LEU . 53.9 t -74.85 -46.97 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.144 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -69.31 -29.39 67.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.868 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.558 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.826 0.346 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.45 -42.3 91.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.268 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -39.27 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -65.36 -41.33 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.089 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -72.06 -28.09 63.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.432 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -46.54 36.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.777 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -64.92 -24.42 67.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.505 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.19 -39.34 63.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.131 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -40.82 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.291 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -32.7 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.494 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.434 ' O ' HD13 ' A' ' 103' ' ' LEU . 11.8 mm-40 -59.84 -47.39 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.547 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -72.53 -41.21 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.406 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.4 tp -57.57 -34.45 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -69.61 -34.38 74.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 99' ' ' GLN . 5.0 mp -61.76 -47.06 86.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.687 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -52.12 -36.73 52.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.61 -43.09 97.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -38.24 85.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.601 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -58.77 -39.19 80.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.55 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.75 71.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.46 ' O ' ' OD1' ' A' ' 113' ' ' ASN . 30.5 p -61.74 -44.5 96.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.466 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 mt -62.21 -34.27 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -65.83 -27.52 68.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.79 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -77.5 -47.98 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.589 ' OD1' ' N ' ' A' ' 113' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.863 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.617 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 2.3 mp0 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.868 0.366 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.43 -37.65 62.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.638 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -72.08 -45.83 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.8 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.75 -33.22 75.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.223 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -71.75 -41.08 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.979 179.573 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -35.6 81.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.104 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.564 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 48.0 mt -75.09 -32.64 27.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.526 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -72.05 -52.24 17.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.452 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.509 ' CG2' ' N ' ' A' ' 21' ' ' THR . 15.2 tt -61.88 -40.47 87.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.509 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 55.0 m -72.79 -38.12 67.36 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.574 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.564 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 24.2 t80 -64.13 -43.7 94.46 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.4 mtt -71.76 -27.14 62.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.688 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.531 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.798 0.333 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.414 ' CD2' ' SD ' ' A' ' 56' ' ' MET . 5.4 t80 -61.25 -41.14 96.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.395 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.5 ' O ' HG22 ' A' ' 57' ' ' ILE . 30.4 mt -72.0 -37.38 69.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.466 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -44.48 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.686 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 56' ' ' MET . 57.8 t -65.2 -73.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.714 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' VAL . 57.7 mtp -36.76 -66.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -53.58 -39.03 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.797 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.468 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . -65.72 -43.04 94.91 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 ttt -66.93 -44.24 81.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 110.844 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -46.3 63.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.698 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 t -55.07 -32.92 62.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -35.8 74.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.33 -49.82 82.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' A' ' 64' ' ' ILE . 1.3 mp -62.7 -38.18 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.543 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.72 -46.79 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.77 -47.95 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.8 mt -56.0 -35.21 40.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.613 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -63.12 -42.23 99.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.6 -179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.8 t -56.07 -44.73 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -48.24 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.0 m -59.83 -31.02 69.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.422 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 68' ' ' LEU . 24.5 t -74.5 -45.89 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.828 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -69.23 -29.84 67.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.768 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.189 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -74.12 -31.93 62.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.715 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -63.54 -35.92 82.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.693 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 96' ' ' TYR . 0.8 OUTLIER -62.66 -37.06 84.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -57.61 -32.09 66.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.271 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -75.43 -46.29 33.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.232 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -75.07 -24.63 58.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' TRP . 46.9 t80 -63.89 -21.43 66.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -73.03 -41.62 64.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.39 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -70.12 -39.43 75.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.449 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -58.0 -44.25 87.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.43 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.0 mm -64.18 -33.89 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.219 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -37.52 87.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.445 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -65.83 -43.53 88.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.364 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 103' ' ' LEU . 2.1 mm? -64.01 -35.17 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.409 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -50.82 -35.33 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.659 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -64.78 -40.84 95.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.455 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.41 ' O ' ' OG1' ' A' ' 109' ' ' THR . 1.3 t -58.33 -37.45 75.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.39 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -63.75 -36.8 85.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.253 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.49 -38.5 71.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 106' ' ' SER . 40.1 p -63.27 -39.11 93.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 24.5 mt -59.24 -35.8 59.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.25 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -58.66 -27.57 64.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.349 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -27.9 67.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.55 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.54 -179.9 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.8 mtt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.559 ' O ' ' OG ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -110.67 88.3 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.425 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.3 p -57.95 -19.71 32.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.585 HD12 ' H ' ' A' ' 4' ' ' LEU . 1.2 mp -57.85 -33.93 69.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.55 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.54 -36.5 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.584 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -74.49 -33.82 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.47 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -75.48 -33.83 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.58 -37.66 65.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.419 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -61.37 -34.12 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.644 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.3 m -76.69 -41.6 44.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.708 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.54 -40.93 72.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -59.12 -37.25 76.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.935 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -38.0 79.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.862 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.68 -46.45 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.59 -33.02 67.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -63.54 -45.8 88.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.791 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.562 ' O ' ' OG1' ' A' ' 21' ' ' THR . 18.0 ttp180 -72.42 -37.55 68.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.197 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.643 ' O ' ' N ' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -71.71 -33.5 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.443 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 26.7 t80 -70.99 -52.31 20.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.962 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.07 -39.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.562 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 50.1 m -74.63 -38.02 62.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.93 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.643 ' N ' ' O ' ' A' ' 18' ' ' ILE . 4.6 t80 -64.14 -41.92 97.0 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.5 mmm -69.78 -26.76 64.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.504 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -75.26 -47.56 27.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.956 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -59.41 -37.26 77.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.998 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.424 ' O ' ' OG1' ' A' ' 30' ' ' THR . 0.3 OUTLIER -58.97 -32.81 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.814 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -66.79 -23.43 66.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -79.1 -44.46 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.695 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -78.4 -19.46 53.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 26' ' ' TRP . 55.4 m -65.63 -31.24 72.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.4 p -52.97 -46.34 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.539 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.38 -39.78 47.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.504 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.94 -35.74 74.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -73.44 -39.72 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.641 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -41.16 72.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.658 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.36 -37.4 66.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.697 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -72.25 -45.43 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.697 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.44 -24.35 12.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.57 -22.49 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.257 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.557 ' O ' ' C ' ' A' ' 41' ' ' VAL . 50.6 mttt -98.95 -16.83 18.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.336 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.856 HG22 ' H ' ' A' ' 42' ' ' ASP . 8.0 p 22.98 -132.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.914 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.856 ' H ' HG22 ' A' ' 41' ' ' VAL . 3.5 t0 -141.6 109.65 5.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.541 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.517 ' O ' ' OD1' ' A' ' 45' ' ' ASN . . . -72.89 -25.95 61.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' A' ' 46' ' ' PHE . 1.7 mt-10 -70.46 -46.16 64.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.712 ' H ' ' CG ' ' A' ' 42' ' ' ASP . 6.0 m120 69.09 -40.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.469 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.513 ' H ' ' C ' ' A' ' 44' ' ' GLU . 28.4 m-85 -65.65 -26.28 67.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -72.59 -31.13 64.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -58.17 -40.96 82.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.606 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.454 HG22 ' H ' ' A' ' 49' ' ' VAL . 7.5 m -78.85 -33.64 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.1 mt -69.76 -44.76 78.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.598 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -35.86 82.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.624 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -59.75 -39.23 84.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.757 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.92 -37.27 72.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -46.47 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.671 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 m -81.49 -16.02 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.3 ttt -64.99 -70.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 58' ' ' GLY . 8.0 tp -70.02 -37.3 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.974 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' N ' HG23 ' A' ' 57' ' ' ILE . . . -53.9 -41.23 67.1 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.4 mmt -72.11 -42.89 65.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.702 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -37.51 87.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -70.85 -37.39 73.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -41.15 93.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.699 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.41 -48.77 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.449 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.2 mt -57.36 -42.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 69' ' ' VAL . 9.7 t -71.22 -36.36 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.617 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.91 -49.06 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.022 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.478 HD12 ' N ' ' A' ' 68' ' ' LEU . 2.1 pp -76.14 -34.8 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.115 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -56.29 -46.55 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 70' ' ' SER . 32.1 m -73.68 -38.76 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.685 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 69' ' ' VAL . 1.4 t -67.9 -41.65 82.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.899 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 67' ' ' ILE . 20.2 p -73.8 -30.93 63.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.74 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 68' ' ' LEU . 4.6 t -74.61 -49.64 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -66.84 -29.53 69.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.882 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -54.99 -31.41 60.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -74.6 -7.12 52.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.572 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' ARG . 6.1 tpt180 -74.65 -45.89 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.527 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' ARG . 1.8 mtt180 35.38 73.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.742 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -100.69 143.29 31.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.94 73.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.739 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -120.88 -170.87 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.32 179.744 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.491 ' N ' ' OG ' ' A' ' 80' ' ' SER . 9.5 m-80 -130.94 125.43 33.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -128.25 144.01 50.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.397 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.41 132.03 17.12 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.531 2.154 . . . . 0.0 112.184 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.665 ' O ' ' N ' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -102.2 146.1 28.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.83 ' O ' HG23 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -26.27 85.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.708 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' A' ' 84' ' ' TYR . 20.4 pt20 -65.02 -19.31 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.19 5.89 6.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.032 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.83 HG23 ' O ' ' A' ' 85' ' ' HIS . 0.9 OUTLIER -55.83 -20.15 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.145 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.82 -35.51 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.264 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.504 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER -75.07 -41.64 58.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.726 0.298 . . . . 0.0 110.96 -179.665 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.48 -24.9 63.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.001 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 88' ' ' ILE . 6.9 m0 -69.75 -41.28 75.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.756 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.15 -24.21 58.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.354 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.504 ' OE2' ' O ' ' A' ' 90' ' ' GLU . 0.3 OUTLIER -75.35 -46.7 31.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -74.38 -24.61 59.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.007 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -26.33 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.301 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -72.79 -32.61 65.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.338 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -36.6 72.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.554 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.14 -47.25 81.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.499 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.02 -37.91 79.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.237 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.01 -41.67 86.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.411 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.26 -38.3 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.292 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.86 -42.03 79.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.449 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.54 -37.72 87.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.527 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.84 -35.9 81.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.46 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 p -59.65 -42.52 92.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.582 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -54.84 -41.21 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.622 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.02 -34.24 73.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -34.82 43.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.56 -41.03 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.929 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -62.22 -29.35 70.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.68 -46.09 84.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -48.83 80.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.051 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.7 mm -57.25 -24.86 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.72 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.43 -28.37 64.7 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.99 -24.94 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.603 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -178.74 80.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -114.03 69.94 0.24 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.568 ' O ' ' O ' ' A' ' 120' ' ' LYS . 10.4 t80 -148.09 86.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.696 0.284 . . . . 0.0 110.537 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.568 ' O ' ' O ' ' A' ' 119' ' ' PHE . 27.0 mttt -54.44 -130.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -112.21 148.98 32.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.513 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.46 150.12 69.79 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.714 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo . . . . . 0 C--N 1.306 -1.709 0 C-N-CA 122.828 2.352 . . . . 0.0 112.113 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -126.49 167.84 15.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.691 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 m -69.76 -18.28 63.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.809 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.6 mt -73.04 -44.08 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.671 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -41.52 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.612 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -62.99 -32.49 73.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.651 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -64.09 -32.71 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.737 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -39.04 69.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.722 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -62.73 -40.71 98.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -33.73 73.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.237 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.03 -36.54 83.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.326 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -45.4 90.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -65.05 -37.56 87.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 t -74.58 -43.76 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -70.9 -33.25 70.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.782 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -69.51 -40.4 77.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.436 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.9 OUTLIER -75.68 -42.72 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.152 179.674 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.598 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 9.0 mt -58.34 -33.73 48.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.394 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -72.02 -51.28 22.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.568 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.67 -44.13 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 7.9 p -74.4 -38.02 63.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.274 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 t80 -57.0 -50.44 72.72 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.698 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -26.94 66.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.9 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.6 -35.97 77.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -69.82 -43.38 72.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.756 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -53.46 -30.56 41.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.711 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.61 ' O ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -59.45 -24.93 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 -179.794 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -75.83 -28.07 58.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.597 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -54.58 -24.48 21.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.266 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 27' ' ' ARG . 8.9 t -62.33 -35.41 79.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.267 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.1 p -59.57 -46.8 87.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.272 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.24 75.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.175 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 7.4 tp10 -55.28 -40.87 71.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.238 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -54.0 -43.86 70.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.14 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -67.68 -46.21 72.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.817 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.72 74.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.117 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 33' ' ' GLU . 6.1 tt -51.41 -39.4 57.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.0 mm-40 -53.29 -31.83 45.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.901 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.43 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.355 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.96 4.11 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.552 ' C ' ' H ' ' A' ' 43' ' ' ALA . 16.1 t -87.44 49.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.439 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 64.17 -7.18 0.23 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.48 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.552 ' H ' ' C ' ' A' ' 41' ' ' VAL . . . -53.73 -44.75 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.447 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' A' ' 46' ' ' PHE . 6.7 tt0 -71.58 -38.92 70.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.464 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 47.21 16.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.459 ' N ' ' C ' ' A' ' 44' ' ' GLU . 16.1 t80 -64.24 -33.63 76.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.76 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -72.18 -35.22 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.79 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.58 -40.41 92.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.927 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.9 t -65.98 -39.48 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.819 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.431 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 4.8 mm -56.77 -37.66 54.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.758 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.9 tp -73.21 -39.51 65.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -41.68 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.689 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.3 tt -61.5 -37.8 85.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.687 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.428 ' N ' HD23 ' A' ' 53' ' ' LEU . 3.4 ttt -63.61 -37.71 88.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.525 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 56' ' ' MET . 42.5 t -71.5 -68.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.498 ' C ' ' O ' ' A' ' 55' ' ' VAL . 1.6 tmm? -32.79 -66.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.212 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.8 mm -55.98 -41.04 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.11 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -57.24 -37.09 78.81 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.0 mmt -67.69 -43.19 80.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 110.106 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.32 -46.03 90.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.318 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -54.67 -32.71 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.457 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -78.53 -36.65 44.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.57 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.8 mt -55.9 -47.68 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.716 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 65' ' ' VAL . 21.9 pt -70.67 -30.41 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 61' ' ' SER . 59.2 t -70.52 -43.99 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.722 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.78 76.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.746 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.23 -45.07 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 72' ' ' VAL . 42.7 mt -61.73 -45.66 92.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.56 -38.85 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.789 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.1 m -67.97 -43.88 77.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.091 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.4 m -71.62 -30.5 65.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.656 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 68' ' ' LEU . 11.0 t -74.98 -49.76 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.54 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -29.15 67.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -24.1 7.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.662 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -75.99 -25.53 55.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.648 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -66.93 -7.93 25.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.651 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.9 73.9 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.406 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.98 138.45 55.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.561 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -82.77 -68.28 0.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.1 t -128.56 23.19 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 59.96 29.58 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.736 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.33 149.01 66.05 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.338 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -63.94 138.01 60.64 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.744 2.296 . . . . 0.0 112.194 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -98.61 108.73 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.471 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.496 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -60.2 139.79 57.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.705 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -72.27 -22.46 61.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -70.88 -7.08 43.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.391 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.1 mt -59.2 -30.46 43.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.646 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.22 -34.76 60.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.88 -30.85 40.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.706 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.9 -26.53 60.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.05 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -74.26 -42.71 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.677 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -57.55 -31.72 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.728 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -75.03 -46.29 35.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.09 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -71.01 -24.59 62.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.814 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 100' ' ' ILE . 12.6 t80 -76.68 -33.2 58.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.384 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 100' ' ' ILE . 47.3 tttm -74.46 -43.9 54.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.651 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -43.22 69.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.584 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -43.62 78.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.485 HD11 ' CZ ' ' A' ' 96' ' ' TYR . 25.6 mt -63.64 -34.16 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.342 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.7 -35.95 75.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.409 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -70.82 -47.17 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.1 -39.32 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.53 -46.32 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.07 -39.49 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.548 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.553 ' O ' HG22 ' A' ' 110' ' ' ILE . 0.6 OUTLIER -52.55 -36.79 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.424 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -56.44 -36.07 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.622 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.12 -43.23 61.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.2 p -62.66 -49.47 75.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.691 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 106' ' ' SER . 16.6 tt -65.18 -35.12 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -66.07 -29.1 69.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.72 -24.2 65.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.463 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.534 ' C ' ' OD1' ' A' ' 113' ' ' ASN . 25.6 t-20 -70.74 -48.74 52.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.517 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 tt -75.11 -32.07 25.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.45 -21.99 70.98 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 117' ' ' ALA . . . -59.86 -49.58 77.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 110.572 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 116' ' ' ALA . . . 176.62 78.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.544 ' O ' ' CD1' ' A' ' 119' ' ' PHE . . . -99.8 52.27 1.03 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 118' ' ' GLY . 21.3 m-85 -140.63 84.41 1.94 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.891 0.377 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm 72.76 -142.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.67 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.2 mtt -134.69 166.71 22.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.378 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.5 p -67.98 145.3 97.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.412 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 C--N 1.306 -1.694 0 C-N-CA 122.685 2.257 . . . . 0.0 112.083 -179.851 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -87.21 127.4 35.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.445 ' H ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -51.14 -36.88 42.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 4' ' ' LEU . 1.3 mm? -53.49 -34.79 59.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -74.32 -40.52 62.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.409 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -59.53 -42.39 92.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.91 -42.31 99.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.414 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -35.73 72.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.372 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -63.63 -42.47 98.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.189 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.1 m -71.14 -38.58 72.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.267 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 11' ' ' LEU . 1.5 mm? -61.73 -42.87 99.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 22.6 mt-10 -73.17 -43.93 60.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -56.26 -38.32 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.651 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -76.76 -46.47 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.97 -33.3 75.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.677 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' GLU . 57.3 ttp180 -62.84 -42.58 99.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.415 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.498 ' O ' ' OG1' ' A' ' 21' ' ' THR . 8.8 mmm180 -76.82 -35.49 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.709 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 22' ' ' TYR . 29.6 mt -67.76 -32.76 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -70.37 -52.81 19.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.379 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.73 -37.28 79.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 85.1 m -74.2 -37.7 63.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.69 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 18' ' ' ILE . 1.3 t80 -67.29 -53.15 32.45 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.063 0.459 . . . . 0.0 110.113 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 mmm -62.1 -27.3 68.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.133 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -65.69 -35.09 79.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.45 95.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -32.24 70.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -52.54 -26.48 13.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.031 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -77.11 -24.71 51.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.225 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -94.39 -25.52 16.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.342 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.6 m -70.46 -45.18 66.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.645 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 m -60.49 -44.6 95.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.08 -36.04 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.694 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.51 -46.71 63.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.704 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -53.25 -33.08 51.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 17.7 mt-10 -69.82 -36.07 75.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.523 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.49 93.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.409 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.3 tp -72.44 -45.83 57.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.565 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -71.96 -23.74 61.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -60.87 -44.46 97.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.527 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.648 ' O ' ' N ' ' A' ' 42' ' ' ASP . 29.3 mmtm -99.27 -28.23 13.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.305 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.564 ' O ' ' C ' ' A' ' 42' ' ' ASP . 9.3 p 25.12 38.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.972 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.648 ' N ' ' O ' ' A' ' 40' ' ' LYS . 1.2 t70 21.88 83.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 45' ' ' ASN . . . -73.3 -14.34 61.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.582 ' C ' ' H ' ' A' ' 46' ' ' PHE . 2.4 mm-40 -63.8 -50.53 68.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER 68.12 -19.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.602 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' H ' ' C ' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -59.25 -29.41 67.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -73.36 -29.96 62.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -71.56 -42.44 67.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.238 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -74.4 -44.23 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.078 -179.451 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 51' ' ' LEU . 1.8 tp -54.3 -35.77 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.545 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 3.9 tp -74.1 -44.39 54.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -38.79 92.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.652 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -36.57 84.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.056 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 54' ' ' MET . 5.2 tpt -59.7 -51.35 70.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.066 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.455 ' H ' HG13 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -73.25 -16.05 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.804 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.0 ttp -75.83 -69.64 0.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 58' ' ' GLY . 8.3 tt -53.61 -39.26 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.452 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.46 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . -61.53 -45.61 96.01 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.3 mmm -55.62 -41.75 73.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.466 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -57.47 -38.5 74.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.464 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.2 p -74.16 -39.89 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.459 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.51 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 47.8 t80 -60.78 -36.16 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.3 mt -73.0 -38.54 56.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.577 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.55 -48.92 78.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' ' 69' ' ' VAL . 13.7 p -71.2 -33.23 50.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.806 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 62' ' ' PHE . . . -56.59 -46.35 80.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 71' ' ' THR . 38.1 pt -76.13 -34.88 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.849 0.356 . . . . 0.0 110.764 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.83 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.3 tp -58.64 -46.75 86.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.459 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 65' ' ' VAL . 18.4 m -66.43 -38.76 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.999 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -47.76 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 109.946 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 67' ' ' ILE . 71.9 p -61.49 -30.49 70.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.678 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 68' ' ' LEU . 45.0 t -73.44 -49.27 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.157 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -64.36 -29.5 70.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.065 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 71' ' ' THR . 88.2 p -66.14 -35.93 81.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.933 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -56.04 -25.2 43.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.994 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -56.43 -49.93 73.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.66 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.614 ' O ' ' N ' ' A' ' 79' ' ' HIS . 19.7 mmt180 -79.46 -38.64 34.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.695 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.554 ' C ' ' O ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER 23.72 42.48 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.614 ' N ' ' O ' ' A' ' 77' ' ' ARG . 32.8 m-70 55.52 -177.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.79 3.93 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.715 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.661 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 9.8 p30 -165.44 -128.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.551 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.661 ' N ' ' OD1' ' A' ' 81' ' ' ASN . 3.4 m-20 -96.71 146.94 32.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.504 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.18 137.61 41.0 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.602 2.201 . . . . 0.0 111.828 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -129.78 112.21 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -111.95 37.82 2.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.214 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -72.33 -26.17 61.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.248 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -107.45 -20.13 13.35 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.913 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.98 -21.87 29.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 0.0 110.545 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.434 HG23 ' H ' ' A' ' 89' ' ' VAL . 2.0 t -67.18 -30.03 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -35.73 57.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.22 -36.41 82.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.729 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -40.35 72.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.749 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.71 -23.77 65.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -73.66 -46.25 47.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.153 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -74.87 -24.16 58.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.813 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -62.67 -21.64 65.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.812 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 98' ' ' SER . 3.8 pttt -74.5 -38.85 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.921 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.464 ' N ' ' CG ' ' A' ' 97' ' ' LYS . 0.3 OUTLIER -53.71 -33.04 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 -179.764 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -65.66 -44.28 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.732 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.7 mm -69.51 -33.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 101' ' ' LEU . 15.5 tp -59.11 -43.03 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.835 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -53.94 -38.05 64.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -68.57 -38.72 80.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -54.55 -41.82 70.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.699 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -58.95 -40.06 83.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.722 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.34 -38.06 89.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.757 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -41.92 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.58 -34.69 60.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.5 m -61.74 -48.81 79.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 111' ' ' HIS . 49.2 pt -67.29 -34.29 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.74 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.465 ' N ' HG13 ' A' ' 110' ' ' ILE . 38.8 t60 -60.98 -37.39 82.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.703 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.462 ' CA ' ' OE1' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -69.18 -26.42 64.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.587 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -69.66 -29.2 66.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.4 -32.55 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.534 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.76 -33.67 78.88 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.432 ' C ' ' H ' ' A' ' 118' ' ' GLY . . . -67.81 -17.77 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.441 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.83 -4.56 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.484 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 116' ' ' ALA . . . -144.18 17.4 2.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -148.77 84.91 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.396 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.413 ' NZ ' ' HB1' ' A' ' 116' ' ' ALA . 1.4 tttp -173.13 30.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 32.6 mtm -70.74 149.2 47.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.27 149.94 70.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.449 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 122.79 2.327 . . . . 0.0 112.14 -179.813 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.628 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 p -117.01 168.96 9.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.468 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 t -55.39 -31.91 62.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.384 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.91 -38.49 67.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.365 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -61.61 -42.2 98.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.109 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.37 -43.23 83.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.971 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -61.6 -36.54 81.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.158 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -32.0 72.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -47.37 86.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.221 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.8 p -58.97 -48.44 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.164 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mt -59.07 -41.22 87.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.331 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -64.27 -35.96 82.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.328 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.04 -38.44 79.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.401 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 10' ' ' THR . 2.6 t -76.76 -44.81 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -65.22 -33.28 75.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.635 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' GLU . 22.1 ttt-85 -67.01 -38.69 86.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.096 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -36.67 59.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.135 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.66 ' O ' ' N ' ' A' ' 22' ' ' TYR . 28.2 mt -64.24 -32.55 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.702 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -52.81 21.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.44 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.7 mm -64.48 -36.96 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.2 m -74.81 -38.13 62.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.611 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.66 ' N ' ' O ' ' A' ' 18' ' ' ILE . 3.2 t80 -67.9 -52.81 32.03 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.801 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.5 mmm -60.15 -27.49 67.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.738 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.65 -40.55 92.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.201 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -57.13 -35.8 69.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.289 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -56.49 -31.43 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.382 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -56.36 -35.14 67.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.787 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -72.89 -25.42 61.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -80.97 -14.3 58.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.0 m -57.5 -30.7 65.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -33.69 73.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.453 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.84 -33.32 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.709 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.12 -34.83 74.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.661 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -54.52 -41.89 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.665 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -53.34 -45.47 69.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.579 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -55.78 -33.23 64.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.494 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.92 -51.02 59.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.773 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 2.6 pt20 -68.68 -23.17 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.695 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -65.04 -39.9 94.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.415 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.678 ' O ' ' N ' ' A' ' 42' ' ' ASP . 44.9 mttp -87.09 -2.67 58.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.347 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 41' ' ' VAL . 1.5 p 26.7 35.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.678 ' N ' ' O ' ' A' ' 40' ' ' LYS . 57.3 m-20 29.91 61.6 0.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.768 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.673 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -54.41 -46.53 73.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.424 ' C ' ' ND2' ' A' ' 45' ' ' ASN . 2.3 tt0 -65.62 -37.5 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.673 ' ND2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER 66.09 -1.33 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.655 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.424 ' H ' ' C ' ' A' ' 44' ' ' GLU . 8.5 t80 -58.6 -31.78 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -56.12 -37.18 69.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -69.67 -37.99 76.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.95 -39.87 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.705 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.84 -37.87 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.734 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.76 -46.01 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -70.99 -40.76 71.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.491 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.27 -36.39 83.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.62 -48.47 74.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.1 t -54.77 -69.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mmt -42.33 -45.34 4.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.668 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.34 -42.41 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.43 -42.38 82.08 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 mtm -66.57 -41.62 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.457 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -70.07 -38.17 75.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.715 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -33.63 75.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -40.02 91.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.483 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.71 -50.02 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.317 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.6 mm -61.04 -31.83 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.193 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.638 ' O ' HG13 ' A' ' 69' ' ' VAL . 12.5 t -70.99 -44.52 75.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -55.4 -46.45 76.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.083 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 68' ' ' LEU . 40.6 pt -67.91 -37.93 79.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.072 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.736 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.9 OUTLIER -56.42 -42.39 77.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.561 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.638 HG13 ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -62.78 -38.67 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.381 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 0.4 OUTLIER -70.02 -47.67 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.969 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.4 p -65.62 -30.75 71.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.615 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 68' ' ' LEU . 39.0 t -72.88 -48.69 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.115 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -69.72 -29.54 66.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.134 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -71.38 -47.69 54.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -58.56 -47.51 84.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.551 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -56.99 -21.29 29.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 42.87 71.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 172.23 160.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.461 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -111.8 86.09 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.734 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.57 168.97 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.453 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -83.96 127.71 34.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.87 148.54 34.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.487 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -64.49 146.24 89.04 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.741 2.294 . . . . 0.0 112.005 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 18.5 m-85 -101.05 112.63 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.797 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 60.16 62.88 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.78 -26.02 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.458 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -76.69 4.5 9.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.325 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.0 tt -57.97 -36.17 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 90' ' ' GLU . 35.5 m -64.02 -39.61 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.621 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.449 ' N ' HG23 ' A' ' 89' ' ' VAL . 40.9 tt0 -78.31 -35.25 48.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.596 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.19 -41.9 69.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.64 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.9 t90 -74.3 -44.17 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -62.99 -30.55 71.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.147 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.33 -42.42 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.92 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.49 -24.29 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.989 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -62.75 -23.86 67.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.449 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -68.52 -43.49 76.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.789 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -32.56 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -55.52 -39.33 70.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.133 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.461 HG12 ' N ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -64.82 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.87 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.461 ' N ' HG12 ' A' ' 100' ' ' ILE . 1.4 tp -54.68 -43.7 72.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -61.35 -33.34 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.4 tp -48.72 -44.64 38.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.267 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -34.75 69.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.29 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.0 -38.93 77.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.368 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.8 t -52.0 -36.92 51.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.393 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -62.9 -41.87 99.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.124 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -36.84 78.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.11 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 m -62.43 -39.62 93.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.097 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.2 mm -56.77 -41.97 76.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.013 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -30.55 71.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.116 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -71.7 -28.47 63.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.43 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -44.83 92.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.421 HG12 ' HZ3' ' A' ' 120' ' ' LYS . 18.3 mt -70.43 -35.77 63.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.341 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.06 -14.56 76.3 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.55 -29.48 66.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 110.601 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -114.2 -52.16 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.453 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 138.36 -58.38 0.62 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -153.21 84.82 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.196 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.421 ' HZ3' HG12 ' A' ' 114' ' ' ILE . 1.2 ptpp? -55.78 128.53 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 30.8 mtm -86.92 125.63 34.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.689 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.1 p -73.25 149.8 89.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 C--N 1.306 -1.672 0 C-N-CA 122.779 2.319 . . . . 0.0 112.184 -179.868 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.559 ' SD ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -105.57 145.91 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.459 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -51.0 -19.76 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.565 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp -56.34 -40.32 74.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.424 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -58.95 -35.77 73.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.288 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 6' ' ' ASN . 38.6 t-20 -69.17 -35.72 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.288 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.66 -26.58 63.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.304 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.5 m -63.28 -32.92 74.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -56.15 -44.59 79.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.359 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -69.43 -39.45 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.208 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 11' ' ' LEU . 10.8 tp -60.87 -43.88 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.304 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -56.92 -35.62 69.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.31 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.7 -39.65 85.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.211 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -77.03 -47.13 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.689 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -33.3 71.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.584 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -55.62 -44.39 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.271 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -77.02 -36.33 56.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.657 ' O ' ' N ' ' A' ' 22' ' ' TYR . 96.3 mt -64.75 -33.47 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.735 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -71.2 -51.61 23.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mm -61.89 -39.96 85.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.2 m -74.77 -38.02 62.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.207 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.657 ' N ' ' O ' ' A' ' 18' ' ' ILE . 75.9 t80 -74.19 -53.27 10.19 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.174 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -59.38 -27.18 65.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.817 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 24' ' ' ASP . 1.7 t0 -55.65 -47.16 77.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.389 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -35.58 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.122 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -31.56 59.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.273 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -54.43 -30.72 53.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.607 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -71.21 -23.83 62.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -15.11 31.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.469 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 m -71.9 -31.11 66.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.449 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -38.16 61.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.329 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.07 69.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.401 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -34.8 60.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.328 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -57.71 -35.67 70.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.38 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.18 -45.87 68.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.61 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.7 -49.12 42.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -55.5 -25.5 37.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.0 -37.04 69.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 42' ' ' ASP . 10.3 mttm -92.74 -29.38 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.143 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.547 ' C ' ' O ' ' A' ' 40' ' ' LYS . 1.8 p -28.04 -36.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.649 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 40' ' ' LYS . 68.9 m-20 -84.82 48.3 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' LYS . . . -66.82 -30.95 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.05 -29.87 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -86.05 77.65 9.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.575 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.423 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.6 m-85 -53.65 -32.02 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.543 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.1 -25.21 44.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.19 -26.2 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.297 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 46' ' ' PHE . 40.1 t -59.47 -45.27 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.737 ' C ' HD12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -74.73 -29.89 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.524 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.424 ' N ' HG13 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -68.8 -36.93 78.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.709 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -70.87 -40.81 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.42 -41.0 65.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.647 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.9 ttp -65.26 -31.85 73.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.767 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.7 t -75.67 -25.42 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.9 ttt -66.81 -58.55 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.757 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.6 mm -53.71 -42.67 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.531 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.45 -36.57 89.74 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.2 tpt -62.84 -44.13 96.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.657 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.01 -38.34 72.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.377 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.67 64.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.548 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -63.74 -47.83 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.987 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.664 HG23 ' N ' ' A' ' 64' ' ' ILE . 15.2 tt -75.54 -50.45 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.664 ' N ' HG23 ' A' ' 63' ' ' ILE . 82.4 mt -52.03 -54.94 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.803 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.1 p -57.7 -30.99 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 63' ' ' ILE . . . -55.72 -46.62 77.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.458 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.0 mt -63.85 -39.63 86.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.7 mm? -55.22 -42.29 73.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.344 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 65' ' ' VAL . 24.4 t -62.43 -39.24 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.495 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -47.61 63.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.693 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.0 p -64.69 -31.81 73.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.526 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 68' ' ' LEU . 19.4 t -75.38 -49.52 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.039 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -67.96 -29.68 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.937 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.8 m -58.35 -22.46 53.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.489 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.479 ' HG2' HH21 ' A' ' 76' ' ' ARG . 4.9 ttpm? -64.89 -51.95 59.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.479 HH21 ' HG2' ' A' ' 75' ' ' LYS . 6.4 mmp_? -57.17 -36.54 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.364 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 67.06 -50.96 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.979 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' ARG . 19.7 mt-10 -118.69 179.61 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.742 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.534 ' ND1' ' N ' ' A' ' 79' ' ' HIS . 0.9 OUTLIER -73.6 43.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.448 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -37.89 155.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -105.55 89.09 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.609 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -118.26 135.32 23.48 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.84 129.88 12.91 Favored 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.554 2.169 . . . . 0.0 112.395 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -115.15 120.29 39.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.32 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.883 ' O ' HG23 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -128.8 -19.74 3.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.473 ' O ' HG23 ' A' ' 89' ' ' VAL . 35.5 mt-30 -51.94 -25.3 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.503 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.44 1.99 8.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.568 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 85' ' ' HIS . 2.5 pp -70.4 -19.47 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 86' ' ' GLN . 13.0 t -60.09 -37.22 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.459 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.32 -38.73 55.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.538 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -25.83 68.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.635 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.471 ' O ' ' CB ' ' A' ' 96' ' ' TYR . 58.6 t90 -59.22 -44.28 92.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -65.45 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.078 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.52 -46.42 32.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.112 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -75.59 -24.62 56.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.19 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.471 ' CB ' ' O ' ' A' ' 92' ' ' TRP . 33.6 t80 -70.92 -37.84 72.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.708 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -66.44 -33.99 76.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.7 t -73.98 -32.74 63.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.06 -45.63 86.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.19 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -74.12 -34.3 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.212 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.4 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.8 OUTLIER -61.3 -40.6 94.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 -179.593 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -60.7 -31.86 71.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.941 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.46 -36.56 73.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.94 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -70.77 -49.17 49.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.936 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.21 -33.18 70.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -66.01 -43.3 88.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.815 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -55.25 -41.6 72.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.58 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.74 -40.7 72.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.512 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.1 m -62.54 -39.1 92.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.617 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.08 -39.08 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.423 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.461 ' HD1' ' C ' ' A' ' 111' ' ' HIS . 8.7 t-80 -59.98 -36.67 77.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.258 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -58.44 -46.63 86.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.221 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.444 ' OD1' ' NZ ' ' A' ' 120' ' ' LYS . 0.1 OUTLIER -55.22 -30.09 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.168 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.7 mt -72.37 -20.36 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.333 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.76 -20.27 78.56 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.38 -47.77 84.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.512 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 179.67 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.61 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 119' ' ' PHE . . . 126.91 12.55 3.21 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.551 ' O ' ' C ' ' A' ' 120' ' ' LYS . 3.5 m-85 -149.41 87.64 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.716 0.293 . . . . 0.0 110.503 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 119' ' ' PHE . 1.5 mttp -26.68 -69.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.2 mtt -143.08 115.76 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.464 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.68 145.51 94.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.422 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo . . . . . 0 C--N 1.307 -1.636 0 C-N-CA 122.536 2.157 . . . . 0.0 112.054 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 mmt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.6 115.6 18.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.9 t -49.86 -20.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.639 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.74 -43.47 96.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.626 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 8' ' ' THR . 1.1 t -59.12 -36.82 75.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -77.37 -33.05 55.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.753 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -31.26 70.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 5' ' ' SER . 1.1 t -52.91 -32.61 46.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.637 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.25 -37.68 72.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.11 -33.6 65.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.678 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 11' ' ' LEU . 2.8 mm? -62.06 -37.37 84.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 2.6 mm-40 -58.32 -43.02 88.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.722 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -62.81 -37.91 88.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.4 t -76.38 -47.17 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.19 -33.63 76.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.345 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 7.3 tmm_? -68.22 -43.26 78.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.891 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.546 ' O ' ' OG1' ' A' ' 21' ' ' THR . 5.8 ttm-85 -63.75 -39.27 93.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.374 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.654 ' O ' ' N ' ' A' ' 22' ' ' TYR . 68.1 mt -63.44 -32.75 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 110.709 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -52.41 19.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.151 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.36 -36.83 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.546 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 31.1 m -74.45 -38.36 63.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.57 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.654 ' N ' ' O ' ' A' ' 18' ' ' ILE . 9.6 t80 -60.72 -52.16 66.28 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.1 mtp -58.16 -26.99 63.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.397 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -72.53 -36.48 68.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.478 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -70.7 -38.61 73.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.406 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -55.04 -36.77 65.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.57 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 27' ' ' ARG . 9.7 mtm105 -72.49 -42.95 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.69 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.32 -21.66 53.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.806 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -75.33 -16.44 60.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.678 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -39.86 30.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.661 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 p -53.46 -32.88 52.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.25 -47.35 55.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -65.52 -42.38 92.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.888 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -72.27 -32.67 66.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.737 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.518 ' C ' ' CD ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -54.29 -35.39 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.499 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 35' ' ' GLU . . . -52.6 -37.45 58.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.649 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.7 tp -68.67 -39.86 80.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -68.0 -27.82 66.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.31 -27.43 23.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.434 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -2.6 6.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.459 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.85 44.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.657 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.558 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -77.2 12.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.999 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -21.76 66.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.346 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' C ' ' H ' ' A' ' 46' ' ' PHE . 41.5 mt-10 -76.18 -32.0 58.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.271 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 61.3 0.8 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.999 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.437 ' H ' ' C ' ' A' ' 44' ' ' GLU . 35.4 t80 -71.88 -24.15 61.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.392 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.72 -36.0 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.609 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -57.3 -33.08 67.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.97 -43.86 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.647 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.07 -42.56 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.435 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -62.5 -42.66 99.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.485 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -71.88 -37.23 70.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.711 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' O ' HG22 ' A' ' 57' ' ' ILE . 1.9 tp -51.74 -38.3 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.09 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.3 mmt -56.27 -42.27 77.18 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.683 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.5 t -73.17 -47.34 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.792 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.0 ttt -48.14 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.766 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.546 HG23 ' N ' ' A' ' 58' ' ' GLY . 13.0 tt -61.0 -43.3 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.731 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.546 ' N ' HG23 ' A' ' 57' ' ' ILE . . . -55.09 -42.18 80.51 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.407 ' O ' HD13 ' A' ' 63' ' ' ILE . 3.6 tpt -58.65 -41.14 85.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.481 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -54.05 -36.51 63.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 m -68.0 -32.81 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.646 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -33.26 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.782 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 59' ' ' MET . 1.7 mp -74.08 -45.54 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.836 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.561 ' CG2' ' N ' ' A' ' 65' ' ' VAL . 6.0 tt -59.36 -44.36 92.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.66 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.561 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -70.25 -30.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.571 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.69 -46.73 81.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.4 mt -63.59 -45.39 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.702 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.6 tp -54.84 -39.02 68.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.37 -39.1 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -47.84 57.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.902 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.7 m -65.28 -31.49 72.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.822 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 68' ' ' LEU . 24.1 t -74.91 -49.85 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.243 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -66.1 -29.36 69.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.06 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.551 ' OG ' ' O ' ' A' ' 78' ' ' GLU . 9.0 t -71.35 -27.08 63.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.803 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -60.74 -22.07 63.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.795 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -6.94 52.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.528 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -132.37 -74.26 0.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.551 ' O ' ' OG ' ' A' ' 74' ' ' SER . 37.3 mt-10 -148.4 -175.98 5.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.634 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.478 ' CG ' ' O ' ' A' ' 79' ' ' HIS . 3.9 p-80 -176.02 85.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.87 159.71 44.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.66 -31.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 14.6 p-10 -127.91 149.05 69.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.645 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.84 137.53 27.18 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.841 2.361 . . . . 0.0 112.172 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.598 ' O ' ' N ' ' A' ' 86' ' ' GLN . 59.7 m-85 -90.06 143.63 26.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.385 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.563 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.0 m80 -55.72 77.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.419 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -66.91 -25.94 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.693 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.478 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 12.0 t80 -76.06 -40.6 52.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.6 mt -73.56 -37.47 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.541 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 85' ' ' HIS . 47.5 t -77.24 -22.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.391 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.42 -37.05 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.524 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.62 -41.19 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -79.65 -37.86 35.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.706 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -65.45 -25.01 67.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.65 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -45.85 35.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.429 . . . . 0.0 110.089 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -67.45 -23.81 65.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.901 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -76.85 -37.67 55.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.64 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -57.61 -34.71 69.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.4 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.521 ' O ' ' CG ' ' A' ' 102' ' ' ASN . 3.8 p -63.06 -36.43 83.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.434 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.26 -40.48 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.6 mt -57.79 -42.85 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.663 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.38 -45.46 65.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.521 ' CG ' ' O ' ' A' ' 98' ' ' SER . 4.0 m-20 -58.07 -46.91 84.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.79 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.22 -35.6 49.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.89 -43.84 94.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.481 ' O ' ' OE1' ' A' ' 105' ' ' GLU . 8.1 tp10 -75.62 -36.7 60.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.044 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.55 ' O ' ' OG1' ' A' ' 109' ' ' THR . 0.9 OUTLIER -66.34 -46.49 76.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.026 -179.523 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.514 ' O ' ' ND1' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -60.88 -37.42 82.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.819 -179.699 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 107' ' ' LYS . . . -58.29 -36.57 73.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.55 ' OG1' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER -64.31 -49.68 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.765 -179.648 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.585 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.5 mp -58.02 -36.82 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.54 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 107' ' ' LYS . 3.3 m80 -67.01 -43.64 82.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.432 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.05 -32.09 70.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.677 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -70.97 -38.05 72.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.759 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.04 -39.95 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.88 -25.19 65.14 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.649 ' O ' ' HB3' ' A' ' 117' ' ' ALA . . . -78.73 -17.28 56.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.547 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 116' ' ' ALA . . . 77.47 -16.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 116' ' ' ALA . . . 78.37 40.86 18.16 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -146.91 85.89 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.725 0.298 . . . . 0.0 110.603 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -151.31 60.96 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.389 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 37.9 mtt -109.9 138.93 45.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.722 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.5 t -82.55 141.84 45.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.352 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo . . . . . 0 C--N 1.308 -1.584 0 C-N-CA 122.595 2.197 . . . . 0.0 112.142 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 mtt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -86.25 90.7 8.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.484 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.6 p -64.03 -32.51 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 tp -53.55 -40.28 65.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.348 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -59.45 -39.21 82.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -70.07 -37.35 75.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.588 ' O ' ' OG1' ' A' ' 10' ' ' THR . 3.7 m-30 -57.63 -33.23 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -32.42 64.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -66.33 -31.75 72.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.588 ' OG1' ' O ' ' A' ' 7' ' ' PHE . 1.3 p -63.77 -42.31 97.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.796 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 11' ' ' LEU . 9.9 mp -61.33 -45.01 96.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.581 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.4 tp10 -61.45 -40.06 93.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.262 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.65 -37.72 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.38 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 10' ' ' THR . 29.1 t -68.91 -47.06 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.82 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -68.45 -33.04 73.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.313 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' GLU . 2.0 ttm180 -70.11 -40.31 74.96 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.023 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.522 ' O ' ' OG1' ' A' ' 21' ' ' THR . 17.6 ttm105 -69.96 -34.05 72.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.968 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.661 ' O ' ' N ' ' A' ' 22' ' ' TYR . 61.2 mt -69.94 -33.26 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.547 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -52.72 19.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.205 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 pp -64.13 -37.82 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 63.4 m -74.58 -37.67 62.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.76 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.661 ' N ' ' O ' ' A' ' 18' ' ' ILE . 52.4 t80 -67.8 -53.07 29.94 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.349 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 0.9 OUTLIER -60.12 -26.89 66.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.407 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.509 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 35.4 t0 -65.95 -34.24 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.648 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' OD1' ' O ' ' A' ' 22' ' ' TYR . 1.2 p-10 -52.65 -40.78 63.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -33.95 77.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.838 0.351 . . . . 0.0 110.617 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 27' ' ' ARG . 4.7 tpp85 -64.16 -40.33 95.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.22 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -64.81 -28.03 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.313 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -17.63 40.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.241 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 m -68.28 -44.23 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.417 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.4 m -60.1 -33.77 72.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.221 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.12 72.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.438 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -53.86 -42.5 68.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.19 -38.29 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.335 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -70.5 -36.25 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.271 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -53.19 -36.33 60.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.343 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.04 -47.96 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.204 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.477 ' O ' ' O ' ' A' ' 41' ' ' VAL . 13.6 mm100 -73.03 -23.99 60.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.576 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -57.36 -28.12 62.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.546 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -65.11 -38.72 91.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.985 HG22 ' H ' ' A' ' 42' ' ' ASP . 7.8 p -119.86 -172.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.315 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.985 ' H ' HG22 ' A' ' 41' ' ' VAL . 61.0 m-20 39.71 45.74 1.48 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.778 0.323 . . . . 0.0 110.418 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.5 -42.8 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.514 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 45' ' ' ASN . 40.8 mm-40 -59.53 -26.89 65.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.302 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.518 ' OD1' ' O ' ' A' ' 45' ' ' ASN . 16.2 p30 42.13 60.51 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.601 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -54.36 -24.14 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -55.97 -49.66 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.31 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.82 -36.35 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.373 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.36 -39.95 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.368 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 mt -54.88 -36.33 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.056 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -73.37 -39.47 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.23 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -71.64 -42.02 68.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.0 tp -65.0 -42.71 94.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' A' ' 54' ' ' MET . 17.9 tmm? -58.25 -28.44 64.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.377 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 51' ' ' LEU . 59.2 t -76.82 -68.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.648 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.5 mtp -42.8 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.0 mm -53.87 -42.76 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.06 95.09 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.626 ' SD ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.4 -42.13 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.643 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -64.43 -44.51 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.6 m -58.49 -33.23 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.982 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.38 -45.09 92.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.776 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.99 -47.01 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.19 -50.61 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.58 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.6 t -53.8 -43.58 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.3 -49.78 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.5 mt -61.19 -45.55 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 72' ' ' VAL . 4.4 mp -60.22 -39.97 88.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.813 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.1 t -56.24 -39.3 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.753 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -47.65 58.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -30.84 70.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.947 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.9 t -72.86 -49.87 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.297 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -69.93 -29.4 66.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.909 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.3 t -64.39 -22.0 66.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' ' 77' ' ' ARG . 15.6 tttp -55.32 -19.22 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -56.84 -6.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.362 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.454 ' H ' ' C ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -95.63 2.5 54.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -79.47 -147.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.66 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.468 ' CG ' ' H ' ' A' ' 80' ' ' SER . 10.9 t-80 -63.43 -143.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.828 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.468 ' H ' ' CG ' ' A' ' 79' ' ' HIS . 41.1 p -101.91 10.21 39.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.725 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.9 115.06 3.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.31 146.5 52.06 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.505 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.24 145.34 93.16 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.846 2.364 . . . . 0.0 112.473 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.452 ' O ' ' CB ' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -108.34 122.93 47.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.227 179.588 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' TYR . 19.7 t60 79.96 -38.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.359 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.887 ' O ' HG22 ' A' ' 89' ' ' VAL . 15.6 mm-40 -70.58 -19.66 62.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.083 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -70.54 -25.41 63.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.647 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.491 ' N ' HD13 ' A' ' 88' ' ' ILE . 6.1 mm -67.24 -25.04 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.655 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.887 HG22 ' O ' ' A' ' 86' ' ' GLN . 2.6 m -68.32 -24.09 29.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.42 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -78.65 -27.4 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.328 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' A' ' 92' ' ' TRP . 1.5 p-10 -60.37 -22.97 63.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.666 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 5.0 t-105 -62.33 -35.49 79.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.502 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -23.68 62.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.53 -44.06 65.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.788 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -75.6 -25.2 56.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.073 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.676 ' CZ ' ' OE1' ' A' ' 99' ' ' GLN . 22.1 t80 -78.13 -24.23 47.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.995 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -58.93 -32.25 69.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -56.63 -32.66 65.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.032 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.676 ' OE1' ' CZ ' ' A' ' 96' ' ' TYR . 41.8 tt0 -59.21 -48.8 80.28 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.77 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.445 HG12 ' H ' ' A' ' 100' ' ' ILE . 6.7 pt -75.8 -39.31 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.537 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.632 ' O ' HD23 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -55.78 -32.77 63.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.071 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.22 -39.6 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -48.46 63.73 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.461 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.13 -36.47 84.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.04 -37.88 75.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.668 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -41.53 80.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.433 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -67.92 -37.46 81.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.431 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.33 73.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.3 m -57.88 -46.47 84.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.97 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -35.8 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.58 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -72.75 -27.64 62.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.08 -25.23 61.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -74.32 -48.61 27.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.833 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -24.95 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.63 -20.1 79.65 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -77.71 -19.91 54.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.491 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -106.11 64.48 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.527 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 119' ' ' PHE . . . -78.38 37.06 1.79 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 118' ' ' GLY . 0.0 OUTLIER -142.88 84.95 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.52 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -165.05 -171.97 2.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.446 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 33.2 mtp -107.78 157.56 18.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.325 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.55 143.67 68.43 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 C--N 1.309 -1.547 0 C-N-CA 122.613 2.209 . . . . 0.0 112.102 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.467 ' O ' ' OG ' ' A' ' 2' ' ' SER . 0.3 OUTLIER -105.09 81.19 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.577 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 t -63.01 -18.94 63.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mp -58.05 -35.27 71.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.9 p -57.49 -38.63 74.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.129 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -71.65 -32.7 68.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.982 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.34 -41.75 98.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.292 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.1 m -55.39 -40.47 71.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.273 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -73.14 -37.48 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.253 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 m -64.03 -47.58 79.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.42 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 tt -55.85 -38.93 70.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 3.4 tp10 -59.53 -36.44 76.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.425 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.97 -37.15 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.569 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.47 -47.62 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.231 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 17.2 t80 -63.05 -33.42 75.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.942 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.609 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.1 mmp_? -64.13 -43.59 94.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.191 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 21' ' ' THR . 26.1 ttt180 -76.49 -34.18 58.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.304 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.65 ' O ' ' N ' ' A' ' 22' ' ' TYR . 1.1 tt -60.8 -33.63 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -72.01 -52.67 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.184 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.13 -37.46 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 85.6 m -74.81 -38.26 62.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.003 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.65 ' N ' ' O ' ' A' ' 18' ' ' ILE . 21.1 t80 -60.36 -52.9 63.27 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.961 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.2 ttt -63.17 -26.83 68.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.571 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.29 -40.64 62.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.732 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.53 ' OD1' ' O ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -64.18 -40.82 96.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.665 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.487 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 7.6 t-105 -56.8 -47.43 80.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.734 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' OG1' ' A' ' 31' ' ' THR . 79.5 mt-30 -81.59 -21.05 38.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.744 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -55.95 -43.26 77.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.804 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -50.6 72.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.758 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 28' ' ' GLN . 59.9 p -54.71 -37.03 65.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.544 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -57.46 -33.51 68.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.482 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -70.39 -46.42 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.23 -43.63 73.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.63 -37.22 79.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 32' ' ' ALA . . . -53.17 -42.11 65.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 41' ' ' VAL . 22.9 mt -69.59 -48.35 60.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.308 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -60.85 -38.45 85.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.0 -34.46 77.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.507 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' A' ' 42' ' ' ASP . 24.7 mttm -81.66 -44.99 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.464 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 37' ' ' LEU . 86.1 t -47.5 -15.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.436 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 40' ' ' LYS . 7.0 t0 64.36 62.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.754 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.55 -10.79 60.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.287 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' C ' ' A' ' 45' ' ' ASN . 3.3 tt0 -57.67 -49.71 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.469 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.546 ' C ' ' O ' ' A' ' 44' ' ' GLU . 10.7 t-20 26.7 92.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.638 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 3.0 p90 -71.78 -26.69 62.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -30.94 69.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 22.2 t80 -65.67 -37.7 87.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.44 -41.89 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.4 mt -72.31 -33.8 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.298 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.0 -37.17 78.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.651 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -74.41 -43.52 55.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.6 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.25 -40.66 77.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.647 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.6 ttp -51.58 -43.88 62.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.74 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.0 m -78.56 -35.59 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -34.82 78.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.52 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.65 -42.18 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.438 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.61 -40.08 69.09 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 ttt -68.98 -43.91 73.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.325 . . . . 0.0 110.445 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -60.74 -42.5 97.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.382 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 m -58.05 -33.17 68.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.309 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.42 -44.53 96.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.533 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 63' ' ' ILE . 1.7 mp -57.08 -42.73 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.6 mt -57.97 -37.2 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.476 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.5 t -71.32 -31.55 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.213 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.26 66.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.473 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 68' ' ' LEU . 6.6 tt -64.41 -39.93 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.165 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.915 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.6 mt -66.45 -46.6 75.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.778 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.32 -38.9 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.484 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.2 p -70.07 -47.83 60.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.939 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.5 m -62.88 -31.06 72.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.608 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 68' ' ' LEU . 71.6 t -74.69 -49.65 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.247 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -29.35 69.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.9 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 1.1 m -66.9 -40.57 87.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -70.65 -28.66 64.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.27 -29.98 70.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.796 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.47 87.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.615 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.469 ' HG3' ' H ' ' A' ' 80' ' ' SER . 3.8 tp10 -176.03 92.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.76 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.3 11.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.398 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.494 ' OG ' ' N ' ' A' ' 81' ' ' ASN . 29.3 t -130.82 -120.6 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.555 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.494 ' N ' ' OG ' ' A' ' 80' ' ' SER . 1.7 p30 -149.03 -86.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.62 148.97 57.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.592 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -68.52 154.21 72.16 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.654 2.236 . . . . 0.0 111.88 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -96.64 138.56 34.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.937 -179.658 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 84' ' ' TYR . 12.2 m80 -143.07 167.97 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.595 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -19.21 61.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.004 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -89.99 -40.69 12.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.077 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 85.2 mt -58.61 -40.24 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.757 0.313 . . . . 0.0 110.542 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 90' ' ' GLU . 6.6 p -69.66 -43.92 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.499 ' N ' HG13 ' A' ' 89' ' ' VAL . 19.8 mt-10 -60.12 -35.03 74.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.381 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -24.47 59.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.489 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.476 ' CZ3' ' HG3' ' A' ' 93' ' ' GLN . 4.1 t90 -76.68 -43.3 38.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.476 ' HG3' ' CZ3' ' A' ' 92' ' ' TRP . 2.1 mt-30 -51.79 -24.27 5.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.321 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.89 -46.3 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.32 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -75.39 -24.36 57.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -58.95 -47.26 85.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.45 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -55.23 -32.81 62.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.991 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 t -74.12 -39.74 63.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.28 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -47.87 84.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.404 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.65 -36.39 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.929 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.46 -38.74 72.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.797 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -73.13 -39.41 65.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.643 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.69 -37.55 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.02 -37.95 81.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.219 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -72.68 -32.97 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.189 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.6 t -51.78 -46.63 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.314 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -54.51 -35.81 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.273 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 107' ' ' LYS . . . -72.13 -33.61 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 111.062 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.4 m -60.73 -46.6 89.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.28 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.17 -42.85 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.145 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.42 ' ND1' ' N ' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -64.42 -28.26 69.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.13 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.54 -21.83 55.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.939 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -53.79 -43.5 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.81 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 115' ' ' GLY . 2.1 pp -82.79 -35.84 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.671 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.405 ' N ' HG13 ' A' ' 114' ' ' ILE . . . -62.17 -22.38 62.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 117' ' ' ALA . . . -66.74 -53.34 34.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.58 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 116' ' ' ALA . . . 66.39 98.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.732 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 98.09 93.02 1.96 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 2.1 p90 -152.49 88.8 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.318 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.76 70.89 1.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.64 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.5 ptm -152.12 142.58 22.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.17 149.62 91.93 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 C--N 1.305 -1.72 0 C-N-CA 122.74 2.293 . . . . 0.0 112.061 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.446 ' O ' ' OG ' ' A' ' 2' ' ' SER . 39.0 p -108.75 79.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.457 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -55.61 -22.96 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.65 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 mt -53.37 -36.24 61.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.595 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.66 -46.86 20.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.96 -31.76 70.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -55.54 -25.39 37.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.667 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.5 m -52.09 -34.06 42.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.163 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -59.67 -32.48 70.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.074 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.3 m -75.73 -32.82 60.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.474 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 11' ' ' LEU . 3.9 mm? -56.54 -43.14 79.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.951 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.65 -37.03 57.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.382 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.89 -37.84 82.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.33 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.55 -47.12 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.725 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -58.44 -33.17 69.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.507 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -47.86 64.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.238 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.544 ' O ' ' OG1' ' A' ' 21' ' ' THR . 10.9 mtp180 -71.8 -34.25 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.364 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 22' ' ' TYR . 1.6 mm -58.84 -33.63 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -72.01 -52.63 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.062 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.6 mm -65.37 -36.87 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.544 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 27.5 m -74.63 -38.07 62.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.871 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 18' ' ' ILE . 28.7 t80 -62.95 -52.82 61.54 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.879 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -61.46 -26.98 68.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.788 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -41.15 61.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.227 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 29' ' ' ASN . 2.9 m120 -61.82 -35.4 78.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.199 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -53.79 -40.16 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.092 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' O ' HG22 ' A' ' 30' ' ' THR . 13.9 ttp-105 -72.86 -36.21 67.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.396 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' O ' ' OG1' ' A' ' 31' ' ' THR . 17.3 tt0 -80.59 -19.76 44.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.345 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 25' ' ' ASN . 3.3 t30 -55.33 -16.94 3.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.62 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 27' ' ' ARG . 1.5 t -56.16 -39.06 71.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -65.37 -37.39 86.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.21 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.44 -33.75 73.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.196 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.44 -38.37 89.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -54.69 -40.27 68.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -64.49 -44.69 90.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.101 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.65 76.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.377 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tp -60.05 -44.07 94.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.468 ' O ' HG12 ' A' ' 41' ' ' VAL . 35.4 mt-30 -60.96 -32.81 72.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.655 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.58 -21.72 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.378 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 42' ' ' ASP . 4.7 ttpt -66.89 -11.84 57.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 41' ' ' VAL . 3.5 p -74.52 34.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 40' ' ' LYS . 23.6 t0 -92.34 100.03 12.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.495 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.61 -9.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.753 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.507 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 3.6 mm-40 -61.77 -34.14 75.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -84.79 37.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.316 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -53.02 -32.36 46.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.961 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.507 ' CZ ' ' O ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -64.81 -30.14 71.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.943 -179.63 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -73.35 -26.92 61.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.84 -47.63 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.5 pt -64.77 -33.15 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.6 tp -64.92 -45.87 84.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.925 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -40.54 90.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.584 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 tp -63.11 -36.2 82.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.9 ttm -61.91 -40.73 96.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 51' ' ' LEU . 18.8 t -58.53 -41.72 82.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.3 ttt -56.13 -53.65 54.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.354 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mm -58.02 -37.96 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.34 -45.48 95.87 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.1 mmt -56.27 -38.95 71.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.28 -42.38 91.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.524 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -38.14 88.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.434 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -38.28 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.561 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.19 -47.16 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 mt -61.0 -45.79 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.93 -35.67 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.531 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.18 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 71' ' ' THR . 50.6 mm -75.06 -35.05 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 72' ' ' VAL . 72.3 mt -70.51 -46.58 63.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.012 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 70' ' ' SER . 27.2 m -57.75 -38.77 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 69' ' ' VAL . 24.5 p -70.77 -48.07 56.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.904 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 67' ' ' ILE . 24.7 p -56.74 -31.13 64.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.423 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 68' ' ' LEU . 53.9 t -74.85 -46.97 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.144 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -69.31 -29.39 67.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.868 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 p -54.74 -27.01 37.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.558 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -73.0 -7.03 49.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -61.09 -20.11 62.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -82.96 -13.89 55.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -112.18 144.09 42.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.703 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.17 170.56 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.557 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.36 176.56 7.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.651 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -145.45 -49.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.436 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.23 143.71 28.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.389 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.51 147.76 94.66 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.559 2.173 . . . . 0.0 111.956 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.686 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 2.4 m-85 -95.74 125.54 40.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.635 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.686 ' CG ' ' O ' ' A' ' 84' ' ' TYR . 7.3 m-70 -176.08 -96.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -19.57 61.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.609 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -78.63 6.05 9.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 mm -52.71 -35.71 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.477 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.3 p -71.27 -23.31 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.328 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.45 -42.3 91.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.268 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -39.27 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -65.36 -41.33 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.089 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -72.06 -28.09 63.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.432 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -46.54 36.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.777 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -64.92 -24.42 67.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.505 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.19 -39.34 63.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.131 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -40.82 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.291 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -32.7 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.494 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.434 ' O ' HD13 ' A' ' 103' ' ' LEU . 11.8 mm-40 -59.84 -47.39 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.547 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -72.53 -41.21 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.406 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.4 tp -57.57 -34.45 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -69.61 -34.38 74.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 99' ' ' GLN . 5.0 mp -61.76 -47.06 86.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.687 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -52.12 -36.73 52.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.61 -43.09 97.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -38.24 85.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.601 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -58.77 -39.19 80.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.55 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.75 71.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.46 ' O ' ' OD1' ' A' ' 113' ' ' ASN . 30.5 p -61.74 -44.5 96.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.466 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 mt -62.21 -34.27 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -65.83 -27.52 68.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.79 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -77.5 -47.98 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.589 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -58.71 -45.0 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.863 -179.677 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.66 -33.22 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.67 -19.69 36.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.12 -14.35 54.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.757 0.313 . . . . 0.0 110.699 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -103.91 14.93 29.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 174.72 102.53 0.16 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.537 ' CD1' ' C ' ' A' ' 119' ' ' PHE . 0.7 OUTLIER -153.41 89.77 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 110.586 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.37 -65.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.564 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.45 136.93 42.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.583 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.55 150.31 81.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.586 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--N 1.306 -1.69 0 C-N-CA 123.102 2.535 . . . . 0.0 112.165 -179.821 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.566 ' O ' ' OD1' ' A' ' 6' ' ' ASN . 44.6 p -127.13 84.65 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -24.89 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.436 ' HG ' ' H ' ' A' ' 5' ' ' SER . 1.7 pp -72.0 -41.06 68.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.749 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.436 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 4.2 m -74.84 -40.25 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 2' ' ' SER . 7.2 m120 -61.07 -32.81 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -69.91 -46.32 65.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 p -65.78 -39.89 91.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.575 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -55.26 -29.79 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 m -61.65 -48.16 82.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.453 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.52 -37.68 76.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.711 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.617 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 2.3 mp0 -71.3 -35.71 71.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.553 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.43 -37.65 62.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.638 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -72.08 -45.83 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.8 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.75 -33.22 75.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.223 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -71.75 -41.08 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.979 179.573 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -35.6 81.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.104 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.564 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 48.0 mt -75.09 -32.64 27.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.526 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -72.05 -52.24 17.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.452 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.509 ' CG2' ' N ' ' A' ' 21' ' ' THR . 15.2 tt -61.88 -40.47 87.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.509 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 55.0 m -72.79 -38.12 67.36 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.574 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.564 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 24.2 t80 -64.13 -43.7 94.46 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.4 mtt -71.76 -27.14 62.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.688 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.26 -43.46 91.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -59.68 -34.93 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.756 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -63.87 -33.51 75.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' O ' ' OG1' ' A' ' 30' ' ' THR . 12.1 mtp180 -69.07 -28.25 66.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.479 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -58.9 -16.91 19.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -66.4 -44.47 82.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.054 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -56.23 -43.99 79.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 -179.552 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.7 p -71.06 -34.65 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.873 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.18 -34.02 59.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.014 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.02 -48.03 47.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.806 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.07 -43.15 91.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.783 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.85 -39.66 66.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.031 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -61.4 -34.99 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.31 -42.36 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.919 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.586 ' O ' ' O ' ' A' ' 41' ' ' VAL . 93.7 mt-30 -71.24 -23.23 61.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -55.23 -21.41 13.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.15 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -99.97 -32.52 10.93 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.333 -179.45 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.814 HG22 ' H ' ' A' ' 42' ' ' ASP . 0.8 OUTLIER -126.89 -166.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.862 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.814 ' H ' HG22 ' A' ' 41' ' ' VAL . 28.4 t70 23.42 51.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.457 ' O ' ' OD1' ' A' ' 45' ' ' ASN . . . -74.62 -26.9 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.781 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.568 ' C ' ' H ' ' A' ' 46' ' ' PHE . 2.7 mt-10 -65.5 -45.17 84.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.605 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 43' ' ' ALA . 1.4 m120 66.18 -37.07 0.26 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.781 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.568 ' H ' ' C ' ' A' ' 44' ' ' GLU . 1.3 m-85 -60.8 -47.12 87.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.568 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -65.37 -29.41 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.654 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.58 -42.23 98.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.782 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.34 -39.97 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.757 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.52 -34.39 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.715 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 tp -68.8 -43.67 75.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.405 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.414 ' CD2' ' SD ' ' A' ' 56' ' ' MET . 5.4 t80 -61.25 -41.14 96.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.395 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.5 ' O ' HG22 ' A' ' 57' ' ' ILE . 30.4 mt -72.0 -37.38 69.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.466 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -44.48 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.686 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 56' ' ' MET . 57.8 t -65.2 -73.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.714 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' VAL . 57.7 mtp -36.76 -66.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -53.58 -39.03 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.797 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.468 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . -65.72 -43.04 94.91 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 ttt -66.93 -44.24 81.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 110.844 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -46.3 63.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.698 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 t -55.07 -32.92 62.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -35.8 74.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.33 -49.82 82.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.489 ' CD1' ' N ' ' A' ' 64' ' ' ILE . 1.3 mp -62.7 -38.18 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.543 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.72 -46.79 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.77 -47.95 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.8 mt -56.0 -35.21 40.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.613 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -63.12 -42.23 99.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.6 -179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.8 t -56.07 -44.73 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -48.24 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.0 m -59.83 -31.02 69.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.422 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 68' ' ' LEU . 24.5 t -74.5 -45.89 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.828 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -69.23 -29.84 67.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.768 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.85 -46.04 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.189 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -68.85 -39.12 80.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.333 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -70.21 -26.47 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.43 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 48.11 50.65 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.503 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -125.61 71.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -59.16 175.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.301 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.589 ' OG ' ' N ' ' A' ' 81' ' ' ASN . 11.7 t 175.47 -119.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.634 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.589 ' N ' ' OG ' ' A' ' 80' ' ' SER . 2.6 m120 -69.85 56.99 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.616 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.01 138.12 30.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.39 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -71.17 132.53 21.25 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.52 2.147 . . . . 0.0 112.064 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -91.24 112.17 23.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.621 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -161.24 66.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -54.01 -20.35 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.615 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -7.16 54.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.1 tt -57.45 -30.5 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.44 -30.47 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -74.12 -31.93 62.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.715 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -63.54 -35.92 82.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.693 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 96' ' ' TYR . 0.8 OUTLIER -62.66 -37.06 84.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -57.61 -32.09 66.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.271 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -75.43 -46.29 33.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.232 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -75.07 -24.63 58.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' TRP . 46.9 t80 -63.89 -21.43 66.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -73.03 -41.62 64.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.39 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -70.12 -39.43 75.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.449 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -58.0 -44.25 87.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.43 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.0 mm -64.18 -33.89 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.219 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -37.52 87.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.445 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -65.83 -43.53 88.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.364 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 103' ' ' LEU . 2.1 mm? -64.01 -35.17 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.409 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -50.82 -35.33 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.659 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -64.78 -40.84 95.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.455 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.41 ' O ' ' OG1' ' A' ' 109' ' ' THR . 1.3 t -58.33 -37.45 75.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.39 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -63.75 -36.8 85.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.253 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.49 -38.5 71.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 106' ' ' SER . 40.1 p -63.27 -39.11 93.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 24.5 mt -59.24 -35.8 59.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.25 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -58.66 -27.57 64.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.349 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -27.9 67.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.55 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.94 -48.88 72.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.4 pp -84.3 -21.51 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.432 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -56.84 -21.88 38.79 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 117' ' ' ALA . . . -76.57 -52.77 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.356 . . . . 0.0 110.46 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 116' ' ' ALA . . . 70.13 103.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.582 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.24 98.82 2.42 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.57 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.5 OUTLIER -146.64 85.74 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.619 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 119' ' ' PHE . 16.4 tttp 35.02 29.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.651 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.569 ' N ' ' O ' ' A' ' 119' ' ' PHE . 13.4 ttt -86.81 126.72 34.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 m -79.39 145.58 64.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo . . . . . 0 C--N 1.308 -1.605 0 C-N-CA 122.641 2.227 . . . . 0.0 111.967 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.614 0.245 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -38.0 79.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.862 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.68 -46.45 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.59 -33.02 67.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -63.54 -45.8 88.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.791 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.562 ' O ' ' OG1' ' A' ' 21' ' ' THR . 18.0 ttp180 -72.42 -37.55 68.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.197 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.643 ' O ' ' N ' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -71.71 -33.5 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.443 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 26.7 t80 -70.99 -52.31 20.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.962 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.07 -39.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.562 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 50.1 m -74.63 -38.02 62.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.93 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.643 ' N ' ' O ' ' A' ' 18' ' ' ILE . 4.6 t80 -64.14 -41.92 97.0 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.5 mmm -69.78 -26.76 64.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.504 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.956 -179.646 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.861 0.363 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -59.75 -39.23 84.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.757 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.92 -37.27 72.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -46.47 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.671 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 m -81.49 -16.02 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.3 ttt -64.99 -70.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 58' ' ' GLY . 8.0 tp -70.02 -37.3 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.974 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' N ' HG23 ' A' ' 57' ' ' ILE . . . -53.9 -41.23 67.1 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.4 mmt -72.11 -42.89 65.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.702 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -37.51 87.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -70.85 -37.39 73.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -41.15 93.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.699 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.41 -48.77 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.449 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.2 mt -57.36 -42.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 69' ' ' VAL . 9.7 t -71.22 -36.36 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.617 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.91 -49.06 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.022 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.478 HD12 ' N ' ' A' ' 68' ' ' LEU . 2.1 pp -76.14 -34.8 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.115 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -56.29 -46.55 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 70' ' ' SER . 32.1 m -73.68 -38.76 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.685 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 69' ' ' VAL . 1.4 t -67.9 -41.65 82.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.899 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 67' ' ' ILE . 20.2 p -73.8 -30.93 63.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.74 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 68' ' ' LEU . 4.6 t -74.61 -49.64 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -66.84 -29.53 69.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.882 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.576 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.65 0.262 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.504 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER -75.07 -41.64 58.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.726 0.298 . . . . 0.0 110.96 -179.665 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.48 -24.9 63.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.001 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -69.75 -41.28 75.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.756 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.15 -24.21 58.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.354 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.504 ' OE2' ' O ' ' A' ' 90' ' ' GLU . 0.3 OUTLIER -75.35 -46.7 31.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -74.38 -24.61 59.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.007 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -26.33 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.301 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -72.79 -32.61 65.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.338 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -36.6 72.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.554 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.14 -47.25 81.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.499 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.02 -37.91 79.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.237 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.01 -41.67 86.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.411 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.26 -38.3 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.292 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.86 -42.03 79.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.449 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.54 -37.72 87.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.527 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.84 -35.9 81.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.46 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 p -59.65 -42.52 92.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.582 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -54.84 -41.21 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.622 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.02 -34.24 73.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -34.82 43.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.56 -41.03 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.929 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.5 ' O ' ' CD2' ' A' ' 111' ' ' HIS . 5.0 t-160 -62.22 -29.35 70.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.68 -46.09 84.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.051 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -65.05 -37.56 87.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 t -74.58 -43.76 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -70.9 -33.25 70.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.782 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -69.51 -40.4 77.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.436 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.9 OUTLIER -75.68 -42.72 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.152 179.674 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.598 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 9.0 mt -58.34 -33.73 48.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.394 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -72.02 -51.28 22.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.568 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.67 -44.13 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 7.9 p -74.4 -38.02 63.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.274 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 t80 -57.0 -50.44 72.72 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.698 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -26.94 66.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.9 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.854 -179.768 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.9 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.747 0.308 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -41.68 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.689 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.526 HD23 ' C ' ' A' ' 53' ' ' LEU . 3.3 tt -61.5 -37.8 85.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.687 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.428 ' N ' HD23 ' A' ' 53' ' ' LEU . 3.4 ttt -63.61 -37.71 88.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.525 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 56' ' ' MET . 42.5 t -71.5 -68.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.498 ' C ' ' O ' ' A' ' 55' ' ' VAL . 1.6 tmm? -32.79 -66.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.212 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.8 mm -55.98 -41.04 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.11 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -57.24 -37.09 78.81 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.0 mmt -67.69 -43.19 80.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 110.106 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.32 -46.03 90.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.318 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -54.67 -32.71 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.457 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -78.53 -36.65 44.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.57 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.8 mt -55.9 -47.68 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.716 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 65' ' ' VAL . 21.9 pt -70.67 -30.41 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 61' ' ' SER . 59.2 t -70.52 -43.99 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.722 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.78 76.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.746 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.23 -45.07 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 72' ' ' VAL . 42.7 mt -61.73 -45.66 92.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.56 -38.85 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.789 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.1 m -67.97 -43.88 77.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.091 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.4 m -71.62 -30.5 65.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.656 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 68' ' ' LEU . 11.0 t -74.98 -49.76 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.54 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -29.15 67.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.662 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.867 0.365 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.88 -30.85 40.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.706 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.9 -26.53 60.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.05 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -74.26 -42.71 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.677 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -57.55 -31.72 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.728 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -75.03 -46.29 35.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.09 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -71.01 -24.59 62.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.814 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 100' ' ' ILE . 12.6 t80 -76.68 -33.2 58.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.384 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 100' ' ' ILE . 47.3 tttm -74.46 -43.9 54.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.651 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -43.22 69.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.584 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -43.62 78.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.485 HD11 ' CZ ' ' A' ' 96' ' ' TYR . 25.6 mt -63.64 -34.16 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.342 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.7 -35.95 75.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.409 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -70.82 -47.17 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.1 -39.32 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.53 -46.32 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.07 -39.49 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.548 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.553 ' O ' HG22 ' A' ' 110' ' ' ILE . 0.6 OUTLIER -52.55 -36.79 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.424 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -56.44 -36.07 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.622 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.12 -43.23 61.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.2 p -62.66 -49.47 75.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.691 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 106' ' ' SER . 16.6 tt -65.18 -35.12 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -66.07 -29.1 69.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.72 -24.2 65.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.463 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.534 ' OD1' ' C ' ' A' ' 113' ' ' ASN . 25.6 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.517 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 22.6 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.795 0.331 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -56.26 -38.32 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.651 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -76.76 -46.47 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.97 -33.3 75.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.677 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' GLU . 57.3 ttp180 -62.84 -42.58 99.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.415 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.498 ' O ' ' OG1' ' A' ' 21' ' ' THR . 8.8 mmm180 -76.82 -35.49 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.709 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 22' ' ' TYR . 29.6 mt -67.76 -32.76 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -70.37 -52.81 19.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.379 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.73 -37.28 79.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 85.1 m -74.2 -37.7 63.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.69 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 18' ' ' ILE . 1.3 t80 -67.29 -53.15 32.45 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.063 0.459 . . . . 0.0 110.113 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 mmm -62.1 -27.3 68.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.133 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 55' ' ' VAL . 3.9 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.955 0.407 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -38.79 92.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.652 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -36.57 84.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.056 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.411 ' O ' ' SD ' ' A' ' 54' ' ' MET . 5.2 tpt -59.7 -51.35 70.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.066 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.455 ' H ' HG13 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -73.25 -16.05 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.804 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.0 ttp -75.83 -69.64 0.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 58' ' ' GLY . 8.3 tt -53.61 -39.26 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.452 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.46 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . -61.53 -45.61 96.01 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.3 mmm -55.62 -41.75 73.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.466 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -57.47 -38.5 74.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.464 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.2 p -74.16 -39.89 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.459 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.51 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 47.8 t80 -60.78 -36.16 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.3 mt -73.0 -38.54 56.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.577 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.55 -48.92 78.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' ' 69' ' ' VAL . 13.7 p -71.2 -33.23 50.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.806 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 62' ' ' PHE . . . -56.59 -46.35 80.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 71' ' ' THR . 38.1 pt -76.13 -34.88 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.849 0.356 . . . . 0.0 110.764 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.83 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.3 tp -58.64 -46.75 86.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.459 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 65' ' ' VAL . 18.4 m -66.43 -38.76 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.999 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -47.76 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 109.946 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 67' ' ' ILE . 71.9 p -61.49 -30.49 70.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.678 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 68' ' ' LEU . 45.0 t -73.44 -49.27 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.157 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -64.36 -29.5 70.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.065 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 71' ' ' THR . 88.2 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.933 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.917 0.389 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -35.73 57.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.22 -36.41 82.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.729 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -40.35 72.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.749 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.71 -23.77 65.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -73.66 -46.25 47.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.153 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -74.87 -24.16 58.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.813 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -62.67 -21.64 65.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.812 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 98' ' ' SER . 3.8 pttt -74.5 -38.85 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.921 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.464 ' N ' ' CG ' ' A' ' 97' ' ' LYS . 0.3 OUTLIER -53.71 -33.04 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 -179.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -65.66 -44.28 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.732 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.7 mm -69.51 -33.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 101' ' ' LEU . 15.5 tp -59.11 -43.03 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.835 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -53.94 -38.05 64.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -68.57 -38.72 80.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -54.55 -41.82 70.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.699 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -58.95 -40.06 83.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.722 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.34 -38.06 89.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.757 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -41.92 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.58 -34.69 60.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.5 m -61.74 -48.81 79.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 111' ' ' HIS . 49.2 pt -67.29 -34.29 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.74 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.465 ' N ' HG13 ' A' ' 110' ' ' ILE . 38.8 t60 -60.98 -37.39 82.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.703 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.462 ' CA ' ' OE1' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -69.18 -26.42 64.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.587 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.802 0.334 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.04 -38.44 79.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.401 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.76 -44.81 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -65.22 -33.28 75.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.635 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' GLU . 22.1 ttt-85 -67.01 -38.69 86.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.096 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -36.67 59.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.135 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.66 ' O ' ' N ' ' A' ' 22' ' ' TYR . 28.2 mt -64.24 -32.55 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.702 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -52.81 21.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.44 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.7 mm -64.48 -36.96 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.2 m -74.81 -38.13 62.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.611 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.66 ' N ' ' O ' ' A' ' 18' ' ' ILE . 3.2 t80 -67.9 -52.81 32.03 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.801 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.5 mmm -60.15 -27.49 67.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.738 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.201 179.78 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.9 tp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.79 0.328 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -70.99 -40.76 71.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.491 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.27 -36.39 83.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.62 -48.47 74.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.1 t -54.77 -69.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mmt -42.33 -45.34 4.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.668 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.34 -42.41 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.43 -42.38 82.08 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 mtm -66.57 -41.62 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.457 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -70.07 -38.17 75.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.715 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -33.63 75.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -40.02 91.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.483 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.71 -50.02 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.317 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.6 mm -61.04 -31.83 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.193 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.638 ' O ' HG13 ' A' ' 69' ' ' VAL . 12.5 t -70.99 -44.52 75.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -55.4 -46.45 76.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.083 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 68' ' ' LEU . 40.6 pt -67.91 -37.93 79.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.072 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.736 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.9 OUTLIER -56.42 -42.39 77.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.561 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.638 HG13 ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -62.78 -38.67 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.381 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 0.4 OUTLIER -70.02 -47.67 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.969 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.4 p -65.62 -30.75 71.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.615 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 68' ' ' LEU . 39.0 t -72.88 -48.69 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.115 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -69.72 -29.54 66.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.134 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.841 -179.72 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 90' ' ' GLU . 35.5 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.77 0.319 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.449 ' N ' HG23 ' A' ' 89' ' ' VAL . 40.9 tt0 -78.31 -35.25 48.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.596 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.19 -41.9 69.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.64 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.9 t90 -74.3 -44.17 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -62.99 -30.55 71.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.147 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.33 -42.42 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.92 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.49 -24.29 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.989 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -62.75 -23.86 67.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.449 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -68.52 -43.49 76.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.789 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -32.56 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -55.52 -39.33 70.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.133 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.461 HG12 ' N ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -64.82 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.87 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.461 ' N ' HG12 ' A' ' 100' ' ' ILE . 1.4 tp -54.68 -43.7 72.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -61.35 -33.34 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.4 tp -48.72 -44.64 38.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.267 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -34.75 69.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.29 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.0 -38.93 77.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.368 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.8 t -52.0 -36.92 51.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.393 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -62.9 -41.87 99.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.124 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -36.84 78.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.11 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 m -62.43 -39.62 93.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.097 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.2 mm -56.77 -41.97 76.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.013 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -30.55 71.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.116 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -71.7 -28.47 63.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.43 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.767 0.317 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.7 -39.65 85.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.211 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -77.03 -47.13 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.689 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -33.3 71.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.584 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -55.62 -44.39 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.271 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -77.02 -36.33 56.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.657 ' O ' ' N ' ' A' ' 22' ' ' TYR . 96.3 mt -64.75 -33.47 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.735 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -71.2 -51.61 23.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mm -61.89 -39.96 85.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.2 m -74.77 -38.02 62.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.207 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.657 ' N ' ' O ' ' A' ' 18' ' ' ILE . 75.9 t80 -74.19 -53.27 10.19 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.174 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -59.38 -27.18 65.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.817 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 24' ' ' ASP . 1.7 t0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.389 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.754 0.312 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -70.87 -40.81 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.42 -41.0 65.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.647 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.9 ttp -65.26 -31.85 73.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.767 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.7 t -75.67 -25.42 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.9 ttt -66.81 -58.55 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.757 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.6 mm -53.71 -42.67 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.531 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.45 -36.57 89.74 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.2 tpt -62.84 -44.13 96.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.657 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.01 -38.34 72.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.377 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.67 64.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.548 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -63.74 -47.83 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.987 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.664 HG23 ' N ' ' A' ' 64' ' ' ILE . 15.2 tt -75.54 -50.45 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.664 ' N ' HG23 ' A' ' 63' ' ' ILE . 82.4 mt -52.03 -54.94 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.803 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.1 p -57.7 -30.99 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 63' ' ' ILE . . . -55.72 -46.62 77.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.458 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.0 mt -63.85 -39.63 86.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.7 mm? -55.22 -42.29 73.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.344 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 65' ' ' VAL . 24.4 t -62.43 -39.24 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.495 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -47.61 63.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.693 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.0 p -64.69 -31.81 73.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.526 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 68' ' ' LEU . 19.4 t -75.38 -49.52 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.039 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -67.96 -29.68 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.937 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.489 179.821 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.818 0.342 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.32 -38.73 55.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.538 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -25.83 68.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.635 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.471 ' O ' ' CB ' ' A' ' 96' ' ' TYR . 58.6 t90 -59.22 -44.28 92.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -65.45 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.078 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.52 -46.42 32.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.112 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -75.59 -24.62 56.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.19 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.471 ' CB ' ' O ' ' A' ' 92' ' ' TRP . 33.6 t80 -70.92 -37.84 72.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.708 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -66.44 -33.99 76.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.7 t -73.98 -32.74 63.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.06 -45.63 86.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.19 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -74.12 -34.3 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.212 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.4 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.8 OUTLIER -61.3 -40.6 94.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 -179.593 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -60.7 -31.86 71.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.941 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.46 -36.56 73.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.94 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -70.77 -49.17 49.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.936 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.21 -33.18 70.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -66.01 -43.3 88.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.815 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -55.25 -41.6 72.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.58 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.74 -40.7 72.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.512 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.1 m -62.54 -39.1 92.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.617 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.08 -39.08 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.423 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.461 ' HD1' ' C ' ' A' ' 111' ' ' HIS . 8.7 t-80 -59.98 -36.67 77.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.258 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -58.44 -46.63 86.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.221 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.417 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 2.6 mm-40 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.767 0.317 . . . . 0.0 110.722 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -62.81 -37.91 88.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.4 t -76.38 -47.17 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.19 -33.63 76.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.345 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 7.3 tmm_? -68.22 -43.26 78.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.891 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.546 ' O ' ' OG1' ' A' ' 21' ' ' THR . 5.8 ttm-85 -63.75 -39.27 93.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.374 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.654 ' O ' ' N ' ' A' ' 22' ' ' TYR . 68.1 mt -63.44 -32.75 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 110.709 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -52.41 19.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.151 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.36 -36.83 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.546 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 31.1 m -74.45 -38.36 63.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.57 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.654 ' N ' ' O ' ' A' ' 18' ' ' ILE . 9.6 t80 -60.72 -52.16 66.28 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.1 mtp -58.16 -26.99 63.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.397 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.478 179.806 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.632 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.942 0.401 . . . . 0.0 110.485 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -71.88 -37.23 70.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.711 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' O ' HG22 ' A' ' 57' ' ' ILE . 1.9 tp -51.74 -38.3 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.09 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.3 mmt -56.27 -42.27 77.18 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.683 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.5 t -73.17 -47.34 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.792 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.0 ttt -48.14 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.766 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.546 HG23 ' N ' ' A' ' 58' ' ' GLY . 13.0 tt -61.0 -43.3 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.731 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.546 ' N ' HG23 ' A' ' 57' ' ' ILE . . . -55.09 -42.18 80.51 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.407 ' O ' HD13 ' A' ' 63' ' ' ILE . 3.6 tpt -58.65 -41.14 85.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.481 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -54.05 -36.51 63.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 m -68.0 -32.81 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.646 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -33.26 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.782 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 59' ' ' MET . 1.7 mp -74.08 -45.54 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.836 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.561 ' CG2' ' N ' ' A' ' 65' ' ' VAL . 6.0 tt -59.36 -44.36 92.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.66 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.561 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -70.25 -30.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.571 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.69 -46.73 81.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.4 mt -63.59 -45.39 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.702 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.6 tp -54.84 -39.02 68.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.37 -39.1 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -47.84 57.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.902 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.7 m -65.28 -31.49 72.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.822 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 68' ' ' LEU . 24.1 t -74.91 -49.85 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.243 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -66.1 -29.36 69.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.06 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.803 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.857 0.361 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.42 -37.05 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.524 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.62 -41.19 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -79.65 -37.86 35.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.706 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -65.45 -25.01 67.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.65 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -45.85 35.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.429 . . . . 0.0 110.089 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -67.45 -23.81 65.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.901 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -76.85 -37.67 55.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.64 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -57.61 -34.71 69.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.4 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.555 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 3.8 p -63.06 -36.43 83.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.434 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.26 -40.48 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.6 mt -57.79 -42.85 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.663 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.38 -45.46 65.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 98' ' ' SER . 1.4 m120 -58.07 -46.91 84.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.79 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.22 -35.6 49.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.89 -43.84 94.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.481 ' O ' ' OE1' ' A' ' 105' ' ' GLU . 8.1 tp10 -75.62 -36.7 60.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.044 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.55 ' O ' ' OG1' ' A' ' 109' ' ' THR . 0.9 OUTLIER -66.34 -46.49 76.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.026 -179.523 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.514 ' O ' ' ND1' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -60.88 -37.42 82.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.819 -179.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 107' ' ' LYS . . . -58.29 -36.57 73.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.55 ' OG1' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER -64.31 -49.68 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.765 -179.648 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.585 HD12 ' N ' ' A' ' 110' ' ' ILE . 1.5 mp -58.02 -36.82 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.54 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 107' ' ' LYS . 3.3 m80 -67.01 -43.64 82.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.432 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.05 -32.09 70.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.677 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.759 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.4 tp10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.852 0.358 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.65 -37.72 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.38 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.457 ' HA ' HH12 ' A' ' 17' ' ' ARG . 29.1 t -68.91 -47.06 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.82 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -68.45 -33.04 73.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.313 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' GLU . 2.0 ttm180 -70.11 -40.31 74.96 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.023 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.522 ' O ' ' OG1' ' A' ' 21' ' ' THR . 17.6 ttm105 -69.96 -34.05 72.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.968 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.661 ' O ' ' N ' ' A' ' 22' ' ' TYR . 61.2 mt -69.94 -33.26 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.547 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -52.72 19.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.205 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 pp -64.13 -37.82 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 63.4 m -74.58 -37.67 62.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.76 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.661 ' N ' ' O ' ' A' ' 18' ' ' ILE . 52.4 t80 -67.8 -53.07 29.94 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.349 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 0.9 OUTLIER -60.12 -26.89 66.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.407 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.509 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 35.4 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.648 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.812 0.339 . . . . 0.0 110.23 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -71.64 -42.02 68.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.0 tp -65.0 -42.71 94.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.472 ' C ' ' SD ' ' A' ' 54' ' ' MET . 17.9 tmm? -58.25 -28.44 64.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.377 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 51' ' ' LEU . 59.2 t -76.82 -68.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.648 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.5 mtp -42.8 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.0 mm -53.87 -42.76 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.06 95.09 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.626 ' SD ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.4 -42.13 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.643 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -64.43 -44.51 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.6 m -58.49 -33.23 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.982 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.38 -45.09 92.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.776 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.99 -47.01 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.19 -50.61 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.58 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.6 t -53.8 -43.58 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.3 -49.78 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.5 mt -61.19 -45.55 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 72' ' ' VAL . 4.4 mp -60.22 -39.97 88.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.813 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.1 t -56.24 -39.3 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.753 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -47.65 58.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -30.84 70.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.947 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.9 t -72.86 -49.87 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.297 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -69.93 -29.4 66.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.909 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.593 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.782 0.325 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -78.65 -27.4 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.328 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' A' ' 92' ' ' TRP . 1.5 p-10 -60.37 -22.97 63.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.666 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 5.0 t-105 -62.33 -35.49 79.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.502 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -23.68 62.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.53 -44.06 65.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.788 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -75.6 -25.2 56.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.073 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.676 ' CZ ' ' OE1' ' A' ' 99' ' ' GLN . 22.1 t80 -78.13 -24.23 47.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.995 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -58.93 -32.25 69.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -56.63 -32.66 65.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.032 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.676 ' OE1' ' CZ ' ' A' ' 96' ' ' TYR . 41.8 tt0 -59.21 -48.8 80.28 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.77 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.445 HG12 ' H ' ' A' ' 100' ' ' ILE . 6.7 pt -75.8 -39.31 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.537 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -55.78 -32.77 63.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.071 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.22 -39.6 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -48.46 63.73 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.461 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.13 -36.47 84.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.04 -37.88 75.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.668 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -41.53 80.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.433 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -67.92 -37.46 81.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.431 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.33 73.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.3 m -57.88 -46.47 84.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.97 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -35.8 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.58 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -72.75 -27.64 62.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.08 -25.23 61.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.833 -179.754 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 3.4 tp10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.985 0.421 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.97 -37.15 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.569 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.47 -47.62 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.231 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 17.2 t80 -63.05 -33.42 75.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.942 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.609 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.1 mmp_? -64.13 -43.59 94.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.191 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 21' ' ' THR . 26.1 ttt180 -76.49 -34.18 58.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.304 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.65 ' O ' ' N ' ' A' ' 22' ' ' TYR . 1.1 tt -60.8 -33.63 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -72.01 -52.67 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.184 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.13 -37.46 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 85.6 m -74.81 -38.26 62.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.003 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.65 ' N ' ' O ' ' A' ' 18' ' ' ILE . 21.1 t80 -60.36 -52.9 63.27 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.961 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.2 ttt -63.17 -26.83 68.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.571 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.732 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.2 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -74.41 -43.52 55.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.6 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.25 -40.66 77.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.647 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.6 ttp -51.58 -43.88 62.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.74 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.0 m -78.56 -35.59 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -34.82 78.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.52 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.65 -42.18 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.438 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.61 -40.08 69.09 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 ttt -68.98 -43.91 73.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.325 . . . . 0.0 110.445 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -60.74 -42.5 97.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.382 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 m -58.05 -33.17 68.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.309 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.42 -44.53 96.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.533 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 63' ' ' ILE . 1.7 mp -57.08 -42.73 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.6 mt -57.97 -37.2 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.476 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.5 t -71.32 -31.55 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.213 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.26 66.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.473 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 68' ' ' LEU . 6.6 tt -64.41 -39.93 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.165 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.915 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.6 mt -66.45 -46.6 75.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.778 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.32 -38.9 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.484 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.2 p -70.07 -47.83 60.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.939 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.5 m -62.88 -31.06 72.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.608 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 68' ' ' LEU . 71.6 t -74.69 -49.65 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.247 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -29.35 69.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.9 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.866 -179.853 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 90' ' ' GLU . 6.6 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.499 ' N ' HG13 ' A' ' 89' ' ' VAL . 19.8 mt-10 -60.12 -35.03 74.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.381 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -24.47 59.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.489 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.476 ' CZ3' ' HG3' ' A' ' 93' ' ' GLN . 4.1 t90 -76.68 -43.3 38.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.476 ' HG3' ' CZ3' ' A' ' 92' ' ' TRP . 2.1 mt-30 -51.79 -24.27 5.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.321 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.89 -46.3 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.32 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -75.39 -24.36 57.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -58.95 -47.26 85.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.45 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -55.23 -32.81 62.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.991 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 t -74.12 -39.74 63.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.28 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -47.87 84.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.404 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.65 -36.39 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.929 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.46 -38.74 72.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.797 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -73.13 -39.41 65.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.643 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.69 -37.55 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.02 -37.95 81.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.219 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -72.68 -32.97 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.189 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.6 t -51.78 -46.63 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.314 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -54.51 -35.81 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.273 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 107' ' ' LYS . . . -72.13 -33.61 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 111.062 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.4 m -60.73 -46.6 89.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.28 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.17 -42.85 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.145 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.42 ' N ' ' ND1' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -64.42 -28.26 69.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.13 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.54 -21.83 55.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.939 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.527 ' C ' HD22 ' A' ' 113' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.81 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.903 0.382 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.89 -37.84 82.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.33 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.55 -47.12 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.725 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -58.44 -33.17 69.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.507 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -47.86 64.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.238 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.544 ' O ' ' OG1' ' A' ' 21' ' ' THR . 10.9 mtp180 -71.8 -34.25 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.364 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 22' ' ' TYR . 1.6 mm -58.84 -33.63 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -72.01 -52.63 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.062 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.6 mm -65.37 -36.87 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.544 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 27.5 m -74.63 -38.07 62.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.871 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 18' ' ' ILE . 28.7 t80 -62.95 -52.82 61.54 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.879 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -61.46 -26.98 68.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.788 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.227 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.6 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.718 0.294 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -40.54 90.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.584 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 tp -63.11 -36.2 82.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.9 ttm -61.91 -40.73 96.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 51' ' ' LEU . 18.8 t -58.53 -41.72 82.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.3 ttt -56.13 -53.65 54.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.354 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mm -58.02 -37.96 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.34 -45.48 95.87 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.1 mmt -56.27 -38.95 71.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.28 -42.38 91.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.524 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -38.14 88.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.434 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -38.28 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.561 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.19 -47.16 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 mt -61.0 -45.79 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.93 -35.67 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.531 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.18 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 71' ' ' THR . 50.6 mm -75.06 -35.05 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 72' ' ' VAL . 72.3 mt -70.51 -46.58 63.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.012 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 70' ' ' SER . 27.2 m -57.75 -38.77 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 69' ' ' VAL . 24.5 p -70.77 -48.07 56.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.904 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 67' ' ' ILE . 24.7 p -56.74 -31.13 64.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.423 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 68' ' ' LEU . 53.9 t -74.85 -46.97 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.144 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -69.31 -29.39 67.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.868 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.558 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.569 HG22 HE21 ' A' ' 93' ' ' GLN . 1.3 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.826 0.346 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.45 -42.3 91.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.268 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -39.27 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -65.36 -41.33 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.089 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.569 HE21 HG22 ' A' ' 89' ' ' VAL . 3.4 mt-30 -72.06 -28.09 63.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.432 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -46.54 36.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.777 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -64.92 -24.42 67.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.505 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.19 -39.34 63.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.131 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -40.82 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.291 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -32.7 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.494 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.434 ' O ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -59.84 -47.39 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.547 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -72.53 -41.21 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.406 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.4 tp -57.57 -34.45 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -69.61 -34.38 74.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 99' ' ' GLN . 5.0 mp -61.76 -47.06 86.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.687 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -52.12 -36.73 52.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.61 -43.09 97.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -38.24 85.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.601 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -58.77 -39.19 80.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.55 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.75 71.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.46 ' O ' ' OD1' ' A' ' 113' ' ' ASN . 30.5 p -61.74 -44.5 96.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.466 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 mt -62.21 -34.27 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -65.83 -27.52 68.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.79 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -77.5 -47.98 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.589 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.863 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.617 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 2.3 mp0 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.868 0.366 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.43 -37.65 62.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.638 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -72.08 -45.83 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.8 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.75 -33.22 75.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.223 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -71.75 -41.08 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.979 179.573 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -35.6 81.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.104 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.564 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 48.0 mt -75.09 -32.64 27.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.526 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -72.05 -52.24 17.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.452 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.509 ' CG2' ' N ' ' A' ' 21' ' ' THR . 15.2 tt -61.88 -40.47 87.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.509 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 55.0 m -72.79 -38.12 67.36 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.574 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.564 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 24.2 t80 -64.13 -43.7 94.46 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.4 mtt -71.76 -27.14 62.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.688 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.531 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.798 0.333 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.414 ' CD2' ' SD ' ' A' ' 56' ' ' MET . 5.4 t80 -61.25 -41.14 96.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.395 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.5 ' O ' HG22 ' A' ' 57' ' ' ILE . 30.4 mt -72.0 -37.38 69.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.466 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -44.48 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.686 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 56' ' ' MET . 57.8 t -65.2 -73.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.714 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' VAL . 57.7 mtp -36.76 -66.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -53.58 -39.03 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.797 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.468 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . -65.72 -43.04 94.91 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 ttt -66.93 -44.24 81.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 110.844 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -46.3 63.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.698 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 t -55.07 -32.92 62.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -35.8 74.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.33 -49.82 82.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' A' ' 64' ' ' ILE . 1.3 mp -62.7 -38.18 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.543 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.72 -46.79 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.77 -47.95 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.8 mt -56.0 -35.21 40.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.613 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -63.12 -42.23 99.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.6 -179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.8 t -56.07 -44.73 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -48.24 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.0 m -59.83 -31.02 69.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.422 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 68' ' ' LEU . 24.5 t -74.5 -45.89 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.828 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -69.23 -29.84 67.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.768 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.189 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -74.12 -31.93 62.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.715 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -63.54 -35.92 82.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.693 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 96' ' ' TYR . 0.8 OUTLIER -62.66 -37.06 84.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -57.61 -32.09 66.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.271 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -75.43 -46.29 33.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.232 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -75.07 -24.63 58.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' TRP . 46.9 t80 -63.89 -21.43 66.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -73.03 -41.62 64.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.39 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -70.12 -39.43 75.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.449 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -58.0 -44.25 87.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.43 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.0 mm -64.18 -33.89 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.219 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -37.52 87.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.445 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -65.83 -43.53 88.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.364 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 103' ' ' LEU . 2.1 mm? -64.01 -35.17 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.409 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -50.82 -35.33 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.659 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -64.78 -40.84 95.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.455 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.41 ' O ' ' OG1' ' A' ' 109' ' ' THR . 1.3 t -58.33 -37.45 75.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.39 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -63.75 -36.8 85.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.253 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.49 -38.5 71.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 106' ' ' SER . 40.1 p -63.27 -39.11 93.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 24.5 mt -59.24 -35.8 59.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.25 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -58.66 -27.57 64.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.349 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -27.9 67.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.55 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.54 -179.9 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.8 mtt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.559 ' O ' ' OG ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -110.67 88.3 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.425 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.3 p -57.95 -19.71 32.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.585 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.2 mp -57.85 -33.93 69.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.55 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.54 -36.5 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.584 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -74.49 -33.82 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.47 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -75.48 -33.83 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.58 -37.66 65.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.419 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -61.37 -34.12 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.644 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.3 m -76.69 -41.6 44.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.708 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.54 -40.93 72.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -59.12 -37.25 76.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.935 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -38.0 79.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.862 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -75.68 -46.45 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.59 -33.02 67.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -63.54 -45.8 88.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.791 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.562 ' O ' ' OG1' ' A' ' 21' ' ' THR . 18.0 ttp180 -72.42 -37.55 68.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.197 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.643 ' O ' ' N ' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -71.71 -33.5 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.443 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 26.7 t80 -70.99 -52.31 20.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.962 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.07 -39.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.562 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 50.1 m -74.63 -38.02 62.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.93 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.643 ' N ' ' O ' ' A' ' 18' ' ' ILE . 4.6 t80 -64.14 -41.92 97.0 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.5 mmm -69.78 -26.76 64.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.504 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -75.26 -47.56 27.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.956 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.41 -37.26 77.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.998 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.424 ' O ' ' OG1' ' A' ' 30' ' ' THR . 0.3 OUTLIER -58.97 -32.81 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.814 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -66.79 -23.43 66.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -79.1 -44.46 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.695 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -78.4 -19.46 53.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 26' ' ' TRP . 55.4 m -65.63 -31.24 72.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.4 p -52.97 -46.34 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.539 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.38 -39.78 47.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.504 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.94 -35.74 74.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -73.44 -39.72 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.641 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.457 ' HG2' HE21 ' A' ' 38' ' ' GLN . 0.2 OUTLIER -55.58 -41.16 72.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.658 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.36 -37.4 66.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.697 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -72.25 -45.43 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.697 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.457 HE21 ' HG2' ' A' ' 35' ' ' GLU . 5.3 pt20 -53.44 -24.35 12.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.57 -22.49 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.257 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.557 ' O ' ' C ' ' A' ' 41' ' ' VAL . 50.6 mttt -98.95 -16.83 18.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.336 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.856 HG22 ' H ' ' A' ' 42' ' ' ASP . 8.0 p 22.98 -132.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.914 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.856 ' H ' HG22 ' A' ' 41' ' ' VAL . 3.5 t0 -141.6 109.65 5.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.541 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.673 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -72.89 -25.95 61.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' A' ' 46' ' ' PHE . 1.7 mt-10 -70.46 -46.16 64.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.712 ' H ' ' CG ' ' A' ' 42' ' ' ASP . 7.5 m-80 69.09 -40.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.469 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.513 ' H ' ' C ' ' A' ' 44' ' ' GLU . 28.4 m-85 -65.65 -26.28 67.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -72.59 -31.13 64.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -58.17 -40.96 82.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.606 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' H ' HG22 ' A' ' 49' ' ' VAL . 7.5 m -78.85 -33.64 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.1 mt -69.76 -44.76 78.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.598 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -35.86 82.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.624 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -59.75 -39.23 84.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.757 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.92 -37.27 72.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -46.47 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.671 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 m -81.49 -16.02 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.3 ttt -64.99 -70.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 58' ' ' GLY . 8.0 tp -70.02 -37.3 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.974 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' N ' HG23 ' A' ' 57' ' ' ILE . . . -53.9 -41.23 67.1 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.4 mmt -72.11 -42.89 65.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.702 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -37.51 87.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -70.85 -37.39 73.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -41.15 93.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.699 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.41 -48.77 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.449 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.2 mt -57.36 -42.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 69' ' ' VAL . 9.7 t -71.22 -36.36 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.617 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.91 -49.06 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.022 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.478 HD12 ' N ' ' A' ' 68' ' ' LEU . 2.1 pp -76.14 -34.8 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.115 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -56.29 -46.55 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 70' ' ' SER . 32.1 m -73.68 -38.76 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.685 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 69' ' ' VAL . 1.4 t -67.9 -41.65 82.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.899 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 67' ' ' ILE . 20.2 p -73.8 -30.93 63.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.74 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 68' ' ' LEU . 4.6 t -74.61 -49.64 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -66.84 -29.53 69.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.882 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -54.99 -31.41 60.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -74.6 -7.12 52.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.572 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' ARG . 6.1 tpt180 -74.65 -45.89 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.527 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' ARG . 1.8 mtt180 35.38 73.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.742 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -100.69 143.29 31.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.382 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.94 73.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.739 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -120.88 -170.87 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.32 179.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.491 ' N ' ' OG ' ' A' ' 80' ' ' SER . 9.5 m-80 -130.94 125.43 33.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.673 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -128.25 144.01 50.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.397 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.41 132.03 17.12 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.531 2.154 . . . . 0.0 112.184 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.665 ' O ' ' N ' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -102.2 146.1 28.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.83 ' O ' HG23 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -26.27 85.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.708 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' A' ' 84' ' ' TYR . 2.5 pt20 -65.02 -19.31 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.51 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.19 5.89 6.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.032 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.83 HG23 ' O ' ' A' ' 85' ' ' HIS . 0.9 OUTLIER -55.83 -20.15 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.145 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.82 -35.51 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.264 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.504 ' O ' ' OE2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER -75.07 -41.64 58.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.726 0.298 . . . . 0.0 110.96 -179.665 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.48 -24.9 63.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.001 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 88' ' ' ILE . 6.9 m0 -69.75 -41.28 75.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.756 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.15 -24.21 58.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.354 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.504 ' OE2' ' O ' ' A' ' 90' ' ' GLU . 0.3 OUTLIER -75.35 -46.7 31.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -74.38 -24.61 59.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.007 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -26.33 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.301 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -72.79 -32.61 65.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.338 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -36.6 72.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.554 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.14 -47.25 81.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.499 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.02 -37.91 79.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.237 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.01 -41.67 86.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.411 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.26 -38.3 86.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.292 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.86 -42.03 79.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.449 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.54 -37.72 87.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.527 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.84 -35.9 81.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.46 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 p -59.65 -42.52 92.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.582 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -54.84 -41.21 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.622 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.02 -34.24 73.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.705 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -34.82 43.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.56 -41.03 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.929 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 111' ' ' HIS . 5.0 t-160 -62.22 -29.35 70.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.68 -46.09 84.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -48.83 80.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.051 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.7 mm -57.25 -24.86 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.72 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.43 -28.37 64.7 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.99 -24.94 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.603 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -178.74 80.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -114.03 69.94 0.24 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.568 ' O ' ' O ' ' A' ' 120' ' ' LYS . 10.4 t80 -148.09 86.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.696 0.284 . . . . 0.0 110.537 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.568 ' O ' ' O ' ' A' ' 119' ' ' PHE . 27.0 mttt -54.44 -130.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -112.21 148.98 32.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.513 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.46 150.12 69.79 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.714 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo . . . . . 0 C--N 1.306 -1.709 0 C-N-CA 122.828 2.352 . . . . 0.0 112.113 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -126.49 167.84 15.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.691 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 m -69.76 -18.28 63.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.809 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.6 mt -73.04 -44.08 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.671 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -41.52 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.612 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -62.99 -32.49 73.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.651 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -64.09 -32.71 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.737 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -39.04 69.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.722 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -62.73 -40.71 98.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -33.73 73.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.237 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.03 -36.54 83.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.326 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -45.4 90.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -65.05 -37.56 87.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 t -74.58 -43.76 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -70.9 -33.25 70.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.782 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -69.51 -40.4 77.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.436 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.9 OUTLIER -75.68 -42.72 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.152 179.674 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.598 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 9.0 mt -58.34 -33.73 48.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.394 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -72.02 -51.28 22.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.568 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.67 -44.13 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 7.9 p -74.4 -38.02 63.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.274 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 2.2 t80 -57.0 -50.44 72.72 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.698 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -26.94 66.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.9 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.6 -35.97 77.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -69.82 -43.38 72.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.756 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -53.46 -30.56 41.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.711 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.61 ' O ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -59.45 -24.93 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 -179.794 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -75.83 -28.07 58.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.597 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 2.7 t-20 -54.58 -24.48 21.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.266 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 27' ' ' ARG . 8.9 t -62.33 -35.41 79.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.267 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.1 p -59.57 -46.8 87.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.272 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.24 75.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.175 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 7.4 tp10 -55.28 -40.87 71.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.238 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -54.0 -43.86 70.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.14 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -67.68 -46.21 72.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.817 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.72 74.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.117 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 33' ' ' GLU . 6.1 tt -51.41 -39.4 57.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.0 mm-40 -53.29 -31.83 45.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.901 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.43 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.355 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.96 4.11 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.552 ' C ' ' H ' ' A' ' 43' ' ' ALA . 16.1 t -87.44 49.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.439 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 64.17 -7.18 0.23 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.48 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.552 ' H ' ' C ' ' A' ' 41' ' ' VAL . . . -53.73 -44.75 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.447 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' A' ' 46' ' ' PHE . 6.7 tt0 -71.58 -38.92 70.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.464 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 47.21 16.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.459 ' N ' ' C ' ' A' ' 44' ' ' GLU . 16.1 t80 -64.24 -33.63 76.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.76 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -72.18 -35.22 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.79 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.58 -40.41 92.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.927 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.9 t -65.98 -39.48 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.819 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.431 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 4.8 mm -56.77 -37.66 54.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.758 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 55' ' ' VAL . 11.9 tp -73.21 -39.51 65.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -41.68 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.689 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.3 tt -61.5 -37.8 85.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.687 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.428 ' N ' HD23 ' A' ' 53' ' ' LEU . 3.4 ttt -63.61 -37.71 88.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.525 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 56' ' ' MET . 42.5 t -71.5 -68.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.498 ' C ' ' O ' ' A' ' 55' ' ' VAL . 1.6 tmm? -32.79 -66.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.212 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.8 mm -55.98 -41.04 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.11 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -57.24 -37.09 78.81 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.0 mmt -67.69 -43.19 80.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 110.106 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.32 -46.03 90.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.318 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -54.67 -32.71 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.457 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -78.53 -36.65 44.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.57 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.8 mt -55.9 -47.68 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.716 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 65' ' ' VAL . 21.9 pt -70.67 -30.41 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 61' ' ' SER . 59.2 t -70.52 -43.99 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.722 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.78 76.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.746 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.23 -45.07 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 72' ' ' VAL . 42.7 mt -61.73 -45.66 92.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.56 -38.85 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.789 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.1 m -67.97 -43.88 77.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.091 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.4 m -71.62 -30.5 65.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.656 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 68' ' ' LEU . 11.0 t -74.98 -49.76 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.54 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -29.15 67.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -24.1 7.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.662 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -75.99 -25.53 55.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.648 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -66.93 -7.93 25.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.651 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.9 73.9 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.406 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.432 ' OE1' ' ND2' ' A' ' 81' ' ' ASN . 10.4 pt-20 -67.98 138.45 55.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.561 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -82.77 -68.28 0.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.1 t -128.56 23.19 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.432 ' ND2' ' OE1' ' A' ' 78' ' ' GLU . 7.7 m120 59.96 29.58 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.736 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.33 149.01 66.05 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.338 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -63.94 138.01 60.64 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.744 2.296 . . . . 0.0 112.194 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -98.61 108.73 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.471 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.496 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -60.2 139.79 57.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.705 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -72.27 -22.46 61.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -70.88 -7.08 43.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.391 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.1 mt -59.2 -30.46 43.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.646 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.22 -34.76 60.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.88 -30.85 40.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.706 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -73.9 -26.53 60.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.05 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -74.26 -42.71 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.677 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -57.55 -31.72 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.728 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -75.03 -46.29 35.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.09 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -71.01 -24.59 62.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.814 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 100' ' ' ILE . 12.6 t80 -76.68 -33.2 58.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.384 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 100' ' ' ILE . 47.3 tttm -74.46 -43.9 54.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.651 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -43.22 69.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.584 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -43.62 78.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.485 HD11 ' CZ ' ' A' ' 96' ' ' TYR . 25.6 mt -63.64 -34.16 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.342 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.7 -35.95 75.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.409 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -70.82 -47.17 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.1 -39.32 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.53 -46.32 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.07 -39.49 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.548 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.553 ' O ' HG22 ' A' ' 110' ' ' ILE . 0.6 OUTLIER -52.55 -36.79 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.424 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -56.44 -36.07 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.622 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.12 -43.23 61.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.2 p -62.66 -49.47 75.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.691 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 106' ' ' SER . 16.6 tt -65.18 -35.12 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -66.07 -29.1 69.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.72 -24.2 65.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.463 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.534 ' C ' ' OD1' ' A' ' 113' ' ' ASN . 25.6 t-20 -70.74 -48.74 52.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.517 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 tt -75.11 -32.07 25.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.45 -21.99 70.98 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 117' ' ' ALA . . . -59.86 -49.58 77.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 110.572 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 116' ' ' ALA . . . 176.62 78.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.544 ' O ' ' CD1' ' A' ' 119' ' ' PHE . . . -99.8 52.27 1.03 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 118' ' ' GLY . 21.3 m-85 -140.63 84.41 1.94 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.891 0.377 . . . . 0.0 110.511 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm 72.76 -142.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.67 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.2 mtt -134.69 166.71 22.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.378 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.5 p -67.98 145.3 97.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.412 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 C--N 1.306 -1.694 0 C-N-CA 122.685 2.257 . . . . 0.0 112.083 -179.851 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -87.21 127.4 35.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.445 ' H ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -51.14 -36.88 42.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 4' ' ' LEU . 1.3 mm? -53.49 -34.79 59.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -74.32 -40.52 62.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.409 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -59.53 -42.39 92.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.91 -42.31 99.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.414 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -35.73 72.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.372 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -63.63 -42.47 98.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.189 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.1 m -71.14 -38.58 72.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.267 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 11' ' ' LEU . 1.5 mm? -61.73 -42.87 99.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ARG . 22.6 mt-10 -73.17 -43.93 60.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -56.26 -38.32 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.651 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -76.76 -46.47 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.97 -33.3 75.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.677 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' GLU . 57.3 ttp180 -62.84 -42.58 99.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.415 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.498 ' O ' ' OG1' ' A' ' 21' ' ' THR . 8.8 mmm180 -76.82 -35.49 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.709 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 22' ' ' TYR . 29.6 mt -67.76 -32.76 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -70.37 -52.81 19.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.379 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.73 -37.28 79.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 85.1 m -74.2 -37.7 63.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.69 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 18' ' ' ILE . 1.3 t80 -67.29 -53.15 32.45 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.063 0.459 . . . . 0.0 110.113 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 mmm -62.1 -27.3 68.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.133 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -65.69 -35.09 79.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -41.45 95.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -32.24 70.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -52.54 -26.48 13.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.031 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -77.11 -24.71 51.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.225 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -94.39 -25.52 16.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.342 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.6 m -70.46 -45.18 66.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.645 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 m -60.49 -44.6 95.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.08 -36.04 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.694 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.51 -46.71 63.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.704 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -53.25 -33.08 51.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.356 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 17.7 mt-10 -69.82 -36.07 75.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.523 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.49 93.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.409 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.3 tp -72.44 -45.83 57.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.565 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -71.96 -23.74 61.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -60.87 -44.46 97.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.527 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.648 ' O ' ' N ' ' A' ' 42' ' ' ASP . 29.3 mmtm -99.27 -28.23 13.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.305 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.564 ' O ' ' C ' ' A' ' 42' ' ' ASP . 9.3 p 25.12 38.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.972 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.648 ' N ' ' O ' ' A' ' 40' ' ' LYS . 1.2 t70 21.88 83.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.583 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -73.3 -14.34 61.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.582 ' C ' ' H ' ' A' ' 46' ' ' PHE . 2.4 mm-40 -63.8 -50.53 68.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.583 ' ND2' ' O ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER 68.12 -19.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.602 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' H ' ' C ' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -59.25 -29.41 67.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -73.36 -29.96 62.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -71.56 -42.44 67.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.238 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -74.4 -44.23 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.078 -179.451 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 51' ' ' LEU . 1.8 tp -54.3 -35.77 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.545 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 3.9 tp -74.1 -44.39 54.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -38.79 92.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.652 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -36.57 84.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.056 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.411 ' O ' ' SD ' ' A' ' 54' ' ' MET . 5.2 tpt -59.7 -51.35 70.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.066 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.455 ' H ' HG13 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -73.25 -16.05 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.804 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.0 ttp -75.83 -69.64 0.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 58' ' ' GLY . 8.3 tt -53.61 -39.26 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.452 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.46 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . -61.53 -45.61 96.01 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.3 mmm -55.62 -41.75 73.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.466 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -57.47 -38.5 74.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.464 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.2 p -74.16 -39.89 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.459 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.51 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 47.8 t80 -60.78 -36.16 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.3 mt -73.0 -38.54 56.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.577 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.55 -48.92 78.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' ' 69' ' ' VAL . 13.7 p -71.2 -33.23 50.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.806 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 62' ' ' PHE . . . -56.59 -46.35 80.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 71' ' ' THR . 38.1 pt -76.13 -34.88 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.849 0.356 . . . . 0.0 110.764 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.83 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.3 tp -58.64 -46.75 86.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.459 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 65' ' ' VAL . 18.4 m -66.43 -38.76 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.999 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -47.76 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 109.946 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 67' ' ' ILE . 71.9 p -61.49 -30.49 70.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.678 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 68' ' ' LEU . 45.0 t -73.44 -49.27 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.157 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -64.36 -29.5 70.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.065 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 71' ' ' THR . 88.2 p -66.14 -35.93 81.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.933 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -56.04 -25.2 43.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.994 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -56.43 -49.93 73.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.66 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.614 ' O ' ' N ' ' A' ' 79' ' ' HIS . 19.7 mmt180 -79.46 -38.64 34.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.695 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.554 ' C ' ' O ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER 23.72 42.48 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.614 ' N ' ' O ' ' A' ' 77' ' ' ARG . 32.8 m-70 55.52 -177.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.559 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.79 3.93 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.715 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.661 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 9.8 p30 -165.44 -128.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.551 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.661 ' N ' ' OD1' ' A' ' 81' ' ' ASN . 3.4 m-20 -96.71 146.94 32.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.504 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.18 137.61 41.0 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.602 2.201 . . . . 0.0 111.828 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -129.78 112.21 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -111.95 37.82 2.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.214 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -72.33 -26.17 61.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.248 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -107.45 -20.13 13.35 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.913 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.98 -21.87 29.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 0.0 110.545 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.434 HG23 ' H ' ' A' ' 89' ' ' VAL . 2.0 t -67.18 -30.03 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -35.73 57.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.22 -36.41 82.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.729 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -40.35 72.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.749 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.71 -23.77 65.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -73.66 -46.25 47.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.153 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -74.87 -24.16 58.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.813 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -62.67 -21.64 65.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.812 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 98' ' ' SER . 3.8 pttt -74.5 -38.85 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.921 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.464 ' N ' ' CG ' ' A' ' 97' ' ' LYS . 0.3 OUTLIER -53.71 -33.04 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 -179.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -65.66 -44.28 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.732 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.7 mm -69.51 -33.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 101' ' ' LEU . 15.5 tp -59.11 -43.03 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.835 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -53.94 -38.05 64.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -68.57 -38.72 80.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -54.55 -41.82 70.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.699 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -58.95 -40.06 83.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.722 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.34 -38.06 89.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.757 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -41.92 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.58 -34.69 60.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.5 m -61.74 -48.81 79.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 111' ' ' HIS . 49.2 pt -67.29 -34.29 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.74 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.465 ' N ' HG13 ' A' ' 110' ' ' ILE . 38.8 t60 -60.98 -37.39 82.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.703 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.462 ' CA ' ' OE1' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -69.18 -26.42 64.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.587 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -69.66 -29.2 66.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.1 mt -61.4 -32.55 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.534 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.76 -33.67 78.88 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.432 ' C ' ' H ' ' A' ' 118' ' ' GLY . . . -67.81 -17.77 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.441 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.83 -4.56 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.484 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 116' ' ' ALA . . . -144.18 17.4 2.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -148.77 84.91 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.396 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.413 ' NZ ' ' HB1' ' A' ' 116' ' ' ALA . 1.4 tttp -173.13 30.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 32.6 mtm -70.74 149.2 47.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.27 149.94 70.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.449 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 122.79 2.327 . . . . 0.0 112.14 -179.813 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.628 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 p -117.01 168.96 9.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.468 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 t -55.39 -31.91 62.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.384 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.91 -38.49 67.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.365 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -61.61 -42.2 98.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.109 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.37 -43.23 83.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.971 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -61.6 -36.54 81.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.158 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -32.0 72.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -47.37 86.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.221 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.8 p -58.97 -48.44 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.164 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mt -59.07 -41.22 87.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.331 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -64.27 -35.96 82.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.328 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.04 -38.44 79.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.401 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 10' ' ' THR . 2.6 t -76.76 -44.81 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -65.22 -33.28 75.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.635 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' GLU . 22.1 ttt-85 -67.01 -38.69 86.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.096 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -36.67 59.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.135 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.66 ' O ' ' N ' ' A' ' 22' ' ' TYR . 28.2 mt -64.24 -32.55 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.702 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -52.81 21.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.44 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.7 mm -64.48 -36.96 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.2 m -74.81 -38.13 62.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.611 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.66 ' N ' ' O ' ' A' ' 18' ' ' ILE . 3.2 t80 -67.9 -52.81 32.03 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.801 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.5 mmm -60.15 -27.49 67.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.738 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.65 -40.55 92.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.201 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -35.8 69.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.289 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -56.49 -31.43 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.382 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -56.36 -35.14 67.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.787 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -72.89 -25.42 61.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -80.97 -14.3 58.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.0 m -57.5 -30.7 65.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -33.69 73.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.453 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.84 -33.32 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.709 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.12 -34.83 74.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.661 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -54.52 -41.89 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.665 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -53.34 -45.47 69.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.579 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -55.78 -33.23 64.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.494 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.92 -51.02 59.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.773 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 2.6 pt20 -68.68 -23.17 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.695 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -65.04 -39.9 94.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.415 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.678 ' O ' ' N ' ' A' ' 42' ' ' ASP . 44.9 mttp -87.09 -2.67 58.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.347 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 41' ' ' VAL . 1.5 p 26.7 35.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.678 ' N ' ' O ' ' A' ' 40' ' ' LYS . 57.3 m-20 29.91 61.6 0.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.768 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.523 ' O ' ' OD1' ' A' ' 45' ' ' ASN . . . -54.41 -46.53 73.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 46' ' ' PHE . 2.3 tt0 -65.62 -37.5 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.615 ' ND2' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 66.09 -1.33 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.655 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.424 ' H ' ' C ' ' A' ' 44' ' ' GLU . 8.5 t80 -58.6 -31.78 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -56.12 -37.18 69.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -69.67 -37.99 76.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.95 -39.87 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.705 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.84 -37.87 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.734 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.76 -46.01 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -70.99 -40.76 71.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.491 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.27 -36.39 83.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.62 -48.47 74.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.1 t -54.77 -69.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mmt -42.33 -45.34 4.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.668 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.34 -42.41 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.43 -42.38 82.08 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 mtm -66.57 -41.62 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.457 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -70.07 -38.17 75.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.715 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -33.63 75.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.739 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -40.02 91.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.483 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.71 -50.02 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.317 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.6 mm -61.04 -31.83 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.193 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.638 ' O ' HG13 ' A' ' 69' ' ' VAL . 12.5 t -70.99 -44.52 75.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -55.4 -46.45 76.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.083 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 68' ' ' LEU . 40.6 pt -67.91 -37.93 79.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.072 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.736 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.9 OUTLIER -56.42 -42.39 77.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.561 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.638 HG13 ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -62.78 -38.67 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.381 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 0.4 OUTLIER -70.02 -47.67 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.969 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.4 p -65.62 -30.75 71.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.615 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 68' ' ' LEU . 39.0 t -72.88 -48.69 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.115 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -69.72 -29.54 66.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.134 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -71.38 -47.69 54.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -58.56 -47.51 84.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.551 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -56.99 -21.29 29.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 42.87 71.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 172.23 160.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.461 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -111.8 86.09 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.734 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.57 168.97 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.453 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -83.96 127.71 34.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.87 148.54 34.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.487 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -64.49 146.24 89.04 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.741 2.294 . . . . 0.0 112.005 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 18.5 m-85 -101.05 112.63 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.797 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 60.16 62.88 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.78 -26.02 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.458 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -76.69 4.5 9.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.325 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.0 tt -57.97 -36.17 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 90' ' ' GLU . 35.5 m -64.02 -39.61 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.621 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.449 ' N ' HG23 ' A' ' 89' ' ' VAL . 40.9 tt0 -78.31 -35.25 48.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.596 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.19 -41.9 69.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.64 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.9 t90 -74.3 -44.17 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -62.99 -30.55 71.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.147 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.33 -42.42 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.92 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.49 -24.29 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.989 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -62.75 -23.86 67.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.449 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -68.52 -43.49 76.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.789 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -32.56 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -55.52 -39.33 70.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.133 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.461 HG12 ' N ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -64.82 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.87 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.461 ' N ' HG12 ' A' ' 100' ' ' ILE . 1.4 tp -54.68 -43.7 72.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -61.35 -33.34 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.4 tp -48.72 -44.64 38.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.267 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -34.75 69.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.29 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.0 -38.93 77.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.368 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.8 t -52.0 -36.92 51.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.393 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -62.9 -41.87 99.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.124 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -36.84 78.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.11 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 m -62.43 -39.62 93.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.097 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.2 mm -56.77 -41.97 76.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.013 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -30.55 71.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.116 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -71.7 -28.47 63.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.43 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -44.83 92.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.421 HG12 ' HZ3' ' A' ' 120' ' ' LYS . 18.3 mt -70.43 -35.77 63.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.341 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.06 -14.56 76.3 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.55 -29.48 66.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 110.601 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -114.2 -52.16 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.453 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 138.36 -58.38 0.62 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -153.21 84.82 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.196 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.421 ' HZ3' HG12 ' A' ' 114' ' ' ILE . 1.2 ptpp? -55.78 128.53 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 30.8 mtm -86.92 125.63 34.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.689 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.1 p -73.25 149.8 89.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 C--N 1.306 -1.672 0 C-N-CA 122.779 2.319 . . . . 0.0 112.184 -179.868 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.559 ' O ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -105.57 145.91 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.459 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -51.0 -19.76 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.565 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp -56.34 -40.32 74.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.424 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -58.95 -35.77 73.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.288 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 6' ' ' ASN . 38.6 t-20 -69.17 -35.72 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.288 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.66 -26.58 63.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.304 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.5 m -63.28 -32.92 74.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -56.15 -44.59 79.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.359 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -69.43 -39.45 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.208 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 11' ' ' LEU . 10.8 tp -60.87 -43.88 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.304 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -56.92 -35.62 69.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.31 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.7 -39.65 85.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.211 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -77.03 -47.13 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.689 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -33.3 71.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.584 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -55.62 -44.39 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.271 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -77.02 -36.33 56.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.657 ' O ' ' N ' ' A' ' 22' ' ' TYR . 96.3 mt -64.75 -33.47 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.735 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -71.2 -51.61 23.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mm -61.89 -39.96 85.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 84.2 m -74.77 -38.02 62.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.207 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.657 ' N ' ' O ' ' A' ' 18' ' ' ILE . 75.9 t80 -74.19 -53.27 10.19 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.174 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -59.38 -27.18 65.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.817 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 24' ' ' ASP . 1.7 t0 -55.65 -47.16 77.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.389 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -35.58 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.122 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -31.56 59.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.273 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -54.43 -30.72 53.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.607 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -23.83 62.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.546 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -90.54 -15.11 31.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.469 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 m -71.9 -31.11 66.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.449 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -38.16 61.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.329 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.07 69.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.401 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -34.8 60.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.328 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -57.71 -35.67 70.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.38 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.18 -45.87 68.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.61 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.7 -49.12 42.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -55.5 -25.5 37.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.568 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.0 -37.04 69.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 42' ' ' ASP . 10.3 mttm -92.74 -29.38 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.143 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.547 ' C ' ' O ' ' A' ' 40' ' ' LYS . 1.8 p -28.04 -36.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.649 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 40' ' ' LYS . 68.9 m-20 -84.82 48.3 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' LYS . . . -66.82 -30.95 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.05 -29.87 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.641 HD22 ' H ' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -86.05 77.65 9.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.575 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.423 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.6 m-85 -53.65 -32.02 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.543 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.483 ' HB3' HD21 ' A' ' 45' ' ' ASN . 1.2 t80 -56.1 -25.21 44.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.366 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.641 ' H ' HD22 ' A' ' 45' ' ' ASN . 1.9 t80 -65.19 -26.2 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.297 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 46' ' ' PHE . 40.1 t -59.47 -45.27 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.737 ' C ' HD12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -74.73 -29.89 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.524 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.424 ' N ' HG13 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -68.8 -36.93 78.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.709 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -70.87 -40.81 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.672 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.42 -41.0 65.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.647 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.9 ttp -65.26 -31.85 73.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.767 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.7 t -75.67 -25.42 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.9 ttt -66.81 -58.55 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.757 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.6 mm -53.71 -42.67 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.531 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.45 -36.57 89.74 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.2 tpt -62.84 -44.13 96.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.657 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.01 -38.34 72.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.377 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.67 64.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.548 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -63.74 -47.83 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.987 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.664 HG23 ' N ' ' A' ' 64' ' ' ILE . 15.2 tt -75.54 -50.45 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.664 ' N ' HG23 ' A' ' 63' ' ' ILE . 82.4 mt -52.03 -54.94 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.803 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.1 p -57.7 -30.99 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 63' ' ' ILE . . . -55.72 -46.62 77.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.458 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.0 mt -63.85 -39.63 86.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.7 mm? -55.22 -42.29 73.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.344 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 65' ' ' VAL . 24.4 t -62.43 -39.24 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.495 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -47.61 63.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.693 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.0 p -64.69 -31.81 73.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.526 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 68' ' ' LEU . 19.4 t -75.38 -49.52 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.039 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -67.96 -29.68 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.937 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.8 m -58.35 -22.46 53.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.489 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.479 ' HG2' HH21 ' A' ' 76' ' ' ARG . 4.9 ttpm? -64.89 -51.95 59.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.479 HH21 ' HG2' ' A' ' 75' ' ' LYS . 6.4 mmp_? -57.17 -36.54 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.364 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 67.06 -50.96 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.979 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' ARG . 19.7 mt-10 -118.69 179.61 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.742 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.534 ' N ' ' ND1' ' A' ' 79' ' ' HIS . 0.9 OUTLIER -73.6 43.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.448 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -37.89 155.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -105.55 89.09 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.609 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -118.26 135.32 23.48 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.84 129.88 12.91 Favored 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.554 2.169 . . . . 0.0 112.395 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -115.15 120.29 39.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.32 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.883 ' O ' HG23 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -128.8 -19.74 3.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.473 ' O ' HG23 ' A' ' 89' ' ' VAL . 35.5 mt-30 -51.94 -25.3 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.503 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.44 1.99 8.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.568 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 85' ' ' HIS . 2.5 pp -70.4 -19.47 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 86' ' ' GLN . 13.0 t -60.09 -37.22 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.459 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.32 -38.73 55.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.538 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -25.83 68.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.635 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.471 ' O ' ' CB ' ' A' ' 96' ' ' TYR . 58.6 t90 -59.22 -44.28 92.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -65.45 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.078 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.52 -46.42 32.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.112 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -75.59 -24.62 56.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.19 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.471 ' CB ' ' O ' ' A' ' 92' ' ' TRP . 33.6 t80 -70.92 -37.84 72.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.708 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -66.44 -33.99 76.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.7 t -73.98 -32.74 63.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.06 -45.63 86.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.19 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -74.12 -34.3 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.212 -179.444 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.4 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.8 OUTLIER -61.3 -40.6 94.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 -179.593 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -60.7 -31.86 71.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.941 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.46 -36.56 73.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.94 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -70.77 -49.17 49.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.936 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -59.21 -33.18 70.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -66.01 -43.3 88.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.815 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -55.25 -41.6 72.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.58 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.74 -40.7 72.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.512 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.1 m -62.54 -39.1 92.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.617 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.08 -39.08 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.423 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.461 ' C ' ' HD1' ' A' ' 111' ' ' HIS . 8.7 t-80 -59.98 -36.67 77.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.258 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -58.44 -46.63 86.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.221 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.444 ' OD1' ' NZ ' ' A' ' 120' ' ' LYS . 0.1 OUTLIER -55.22 -30.09 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.168 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.7 mt -72.37 -20.36 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.333 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.76 -20.27 78.56 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.38 -47.77 84.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.512 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 179.67 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.61 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 119' ' ' PHE . . . 126.91 12.55 3.21 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.551 ' O ' ' C ' ' A' ' 120' ' ' LYS . 3.5 m-85 -149.41 87.64 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.716 0.293 . . . . 0.0 110.503 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 119' ' ' PHE . 1.5 mttp -26.68 -69.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.2 mtt -143.08 115.76 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.464 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.68 145.51 94.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.422 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo . . . . . 0 C--N 1.307 -1.636 0 C-N-CA 122.536 2.157 . . . . 0.0 112.054 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 mmt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.6 115.6 18.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.9 t -49.86 -20.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.639 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.74 -43.47 96.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.626 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 8' ' ' THR . 1.1 t -59.12 -36.82 75.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -77.37 -33.05 55.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.753 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -31.26 70.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 5' ' ' SER . 1.1 t -52.91 -32.61 46.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.637 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.25 -37.68 72.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.11 -33.6 65.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.678 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 11' ' ' LEU . 2.8 mm? -62.06 -37.37 84.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 2.6 mm-40 -58.32 -43.02 88.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.722 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -62.81 -37.91 88.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.4 t -76.38 -47.17 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.19 -33.63 76.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.345 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 7.3 tmm_? -68.22 -43.26 78.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.891 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.546 ' O ' ' OG1' ' A' ' 21' ' ' THR . 5.8 ttm-85 -63.75 -39.27 93.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.374 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.654 ' O ' ' N ' ' A' ' 22' ' ' TYR . 68.1 mt -63.44 -32.75 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 110.709 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -52.41 19.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.151 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.36 -36.83 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.546 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 31.1 m -74.45 -38.36 63.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.57 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.654 ' N ' ' O ' ' A' ' 18' ' ' ILE . 9.6 t80 -60.72 -52.16 66.28 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.1 mtp -58.16 -26.99 63.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.397 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -72.53 -36.48 68.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.478 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -70.7 -38.61 73.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.406 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -55.04 -36.77 65.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.57 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 27' ' ' ARG . 9.7 mtm105 -72.49 -42.95 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.69 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.32 -21.66 53.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.806 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -75.33 -16.44 60.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.678 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -39.86 30.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.661 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 p -53.46 -32.88 52.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.25 -47.35 55.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -65.52 -42.38 92.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.888 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -72.27 -32.67 66.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.737 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.518 ' CD ' ' C ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -54.29 -35.39 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.499 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 35' ' ' GLU . . . -52.6 -37.45 58.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.649 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.7 tp -68.67 -39.86 80.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -68.0 -27.82 66.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.31 -27.43 23.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.434 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -2.6 6.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.459 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.85 44.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.657 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.558 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -77.2 12.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.999 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -21.76 66.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.346 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' C ' ' H ' ' A' ' 46' ' ' PHE . 41.5 mt-10 -76.18 -32.0 58.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.271 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 61.3 0.8 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.999 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.437 ' H ' ' C ' ' A' ' 44' ' ' GLU . 35.4 t80 -71.88 -24.15 61.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.392 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.72 -36.0 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.609 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -57.3 -33.08 67.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.97 -43.86 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.647 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.07 -42.56 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.435 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.632 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -62.5 -42.66 99.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.485 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -71.88 -37.23 70.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.711 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' O ' HG22 ' A' ' 57' ' ' ILE . 1.9 tp -51.74 -38.3 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.09 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.3 mmt -56.27 -42.27 77.18 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.683 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.5 t -73.17 -47.34 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.792 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.0 ttt -48.14 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.766 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.546 HG23 ' N ' ' A' ' 58' ' ' GLY . 13.0 tt -61.0 -43.3 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.731 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.546 ' N ' HG23 ' A' ' 57' ' ' ILE . . . -55.09 -42.18 80.51 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.407 ' O ' HD13 ' A' ' 63' ' ' ILE . 3.6 tpt -58.65 -41.14 85.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.481 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -54.05 -36.51 63.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 m -68.0 -32.81 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.646 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -33.26 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.782 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 59' ' ' MET . 1.7 mp -74.08 -45.54 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.836 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.561 ' CG2' ' N ' ' A' ' 65' ' ' VAL . 6.0 tt -59.36 -44.36 92.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.66 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.561 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -70.25 -30.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.571 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.69 -46.73 81.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.4 mt -63.59 -45.39 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.702 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.6 tp -54.84 -39.02 68.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.37 -39.1 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -47.84 57.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.902 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.7 m -65.28 -31.49 72.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.822 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 68' ' ' LEU . 24.1 t -74.91 -49.85 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.243 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -66.1 -29.36 69.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.06 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.551 ' OG ' ' O ' ' A' ' 78' ' ' GLU . 9.0 t -71.35 -27.08 63.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.803 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -60.74 -22.07 63.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.795 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -6.94 52.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.528 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -132.37 -74.26 0.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.551 ' O ' ' OG ' ' A' ' 74' ' ' SER . 37.3 mt-10 -148.4 -175.98 5.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.634 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 79' ' ' HIS . 0.9 OUTLIER -176.02 85.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.87 159.71 44.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.66 -31.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 14.6 p-10 -127.91 149.05 69.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.645 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.84 137.53 27.18 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.841 2.361 . . . . 0.0 112.172 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.598 ' O ' ' N ' ' A' ' 86' ' ' GLN . 59.7 m-85 -90.06 143.63 26.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.385 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.563 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.0 m80 -55.72 77.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.419 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -66.91 -25.94 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.693 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.478 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 12.0 t80 -76.06 -40.6 52.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.6 mt -73.56 -37.47 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.541 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 85' ' ' HIS . 47.5 t -77.24 -22.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.391 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.42 -37.05 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.524 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.62 -41.19 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -79.65 -37.86 35.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.706 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -65.45 -25.01 67.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.65 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -45.85 35.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.429 . . . . 0.0 110.089 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -67.45 -23.81 65.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.901 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -76.85 -37.67 55.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.64 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -57.61 -34.71 69.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.4 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.555 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 3.8 p -63.06 -36.43 83.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.434 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.26 -40.48 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.6 mt -57.79 -42.85 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.663 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.38 -45.46 65.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 98' ' ' SER . 1.4 m120 -58.07 -46.91 84.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.79 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.22 -35.6 49.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.89 -43.84 94.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.481 ' O ' ' OE1' ' A' ' 105' ' ' GLU . 8.1 tp10 -75.62 -36.7 60.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.044 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.55 ' O ' ' OG1' ' A' ' 109' ' ' THR . 0.9 OUTLIER -66.34 -46.49 76.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.026 -179.523 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.514 ' O ' ' ND1' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -60.88 -37.42 82.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.819 -179.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 107' ' ' LYS . . . -58.29 -36.57 73.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.55 ' OG1' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER -64.31 -49.68 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.765 -179.648 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.585 HD12 ' N ' ' A' ' 110' ' ' ILE . 1.5 mp -58.02 -36.82 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.54 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 107' ' ' LYS . 3.3 m80 -67.01 -43.64 82.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.432 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.05 -32.09 70.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.677 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -38.05 72.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.759 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.04 -39.95 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.88 -25.19 65.14 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.649 ' O ' ' HB3' ' A' ' 117' ' ' ALA . . . -78.73 -17.28 56.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.547 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 116' ' ' ALA . . . 77.47 -16.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 116' ' ' ALA . . . 78.37 40.86 18.16 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -146.91 85.89 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.725 0.298 . . . . 0.0 110.603 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -151.31 60.96 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.389 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 37.9 mtt -109.9 138.93 45.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.722 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.5 t -82.55 141.84 45.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.352 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo . . . . . 0 C--N 1.308 -1.584 0 C-N-CA 122.595 2.197 . . . . 0.0 112.142 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 mtt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -86.25 90.7 8.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.484 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.6 p -64.03 -32.51 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 tp -53.55 -40.28 65.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.348 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -59.45 -39.21 82.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -70.07 -37.35 75.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.588 ' O ' ' OG1' ' A' ' 10' ' ' THR . 3.7 m-30 -57.63 -33.23 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -32.42 64.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -66.33 -31.75 72.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.588 ' OG1' ' O ' ' A' ' 7' ' ' PHE . 1.3 p -63.77 -42.31 97.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.796 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.9 mp -61.33 -45.01 96.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.581 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.4 tp10 -61.45 -40.06 93.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.262 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.65 -37.72 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.38 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 10' ' ' THR . 29.1 t -68.91 -47.06 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.82 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -68.45 -33.04 73.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.313 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' GLU . 2.0 ttm180 -70.11 -40.31 74.96 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.023 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.522 ' O ' ' OG1' ' A' ' 21' ' ' THR . 17.6 ttm105 -69.96 -34.05 72.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.968 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.661 ' O ' ' N ' ' A' ' 22' ' ' TYR . 61.2 mt -69.94 -33.26 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.547 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -52.72 19.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.205 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 pp -64.13 -37.82 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 63.4 m -74.58 -37.67 62.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.76 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.661 ' N ' ' O ' ' A' ' 18' ' ' ILE . 52.4 t80 -67.8 -53.07 29.94 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.349 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 0.9 OUTLIER -60.12 -26.89 66.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.407 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.509 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 35.4 t0 -65.95 -34.24 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.648 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' OD1' ' O ' ' A' ' 22' ' ' TYR . 1.2 p-10 -52.65 -40.78 63.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -33.95 77.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.838 0.351 . . . . 0.0 110.617 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 27' ' ' ARG . 4.7 tpp85 -64.16 -40.33 95.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.22 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -64.81 -28.03 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.313 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -17.63 40.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.241 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 m -68.28 -44.23 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.417 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.4 m -60.1 -33.77 72.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.221 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.12 72.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.438 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -53.86 -42.5 68.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.19 -38.29 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.335 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -70.5 -36.25 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.271 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -53.19 -36.33 60.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.343 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.04 -47.96 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.204 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.477 ' O ' ' O ' ' A' ' 41' ' ' VAL . 13.6 mm100 -73.03 -23.99 60.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.576 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -57.36 -28.12 62.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.546 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -65.11 -38.72 91.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.985 HG22 ' H ' ' A' ' 42' ' ' ASP . 7.8 p -119.86 -172.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.315 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.985 ' H ' HG22 ' A' ' 41' ' ' VAL . 61.0 m-20 39.71 45.74 1.48 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.778 0.323 . . . . 0.0 110.418 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.5 -42.8 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.514 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 45' ' ' ASN . 40.8 mm-40 -59.53 -26.89 65.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.302 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.518 ' OD1' ' O ' ' A' ' 45' ' ' ASN . 16.2 p30 42.13 60.51 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.601 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -54.36 -24.14 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -55.97 -49.66 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.31 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.82 -36.35 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.373 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.36 -39.95 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.368 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 mt -54.88 -36.33 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.056 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -73.37 -39.47 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.23 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -71.64 -42.02 68.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.0 tp -65.0 -42.71 94.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.472 ' C ' ' SD ' ' A' ' 54' ' ' MET . 17.9 tmm? -58.25 -28.44 64.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.377 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 51' ' ' LEU . 59.2 t -76.82 -68.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.648 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.5 mtp -42.8 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.0 mm -53.87 -42.76 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.06 95.09 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.626 ' SD ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.4 -42.13 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.643 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -64.43 -44.51 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.6 m -58.49 -33.23 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.982 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.38 -45.09 92.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.776 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.99 -47.01 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.19 -50.61 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.58 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.6 t -53.8 -43.58 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.3 -49.78 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.5 mt -61.19 -45.55 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 72' ' ' VAL . 4.4 mp -60.22 -39.97 88.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.813 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.1 t -56.24 -39.3 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.753 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -47.65 58.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -30.84 70.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.947 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.9 t -72.86 -49.87 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.297 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -69.93 -29.4 66.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.909 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.3 t -64.39 -22.0 66.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' ' 77' ' ' ARG . 15.6 tttp -55.32 -19.22 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -56.84 -6.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.362 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.454 ' H ' ' C ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -95.63 2.5 54.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -79.47 -147.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.66 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.468 ' CG ' ' H ' ' A' ' 80' ' ' SER . 10.9 t-80 -63.43 -143.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.828 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.468 ' H ' ' CG ' ' A' ' 79' ' ' HIS . 41.1 p -101.91 10.21 39.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.725 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.9 115.06 3.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.31 146.5 52.06 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.505 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.24 145.34 93.16 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.846 2.364 . . . . 0.0 112.473 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.452 ' O ' ' CB ' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -108.34 122.93 47.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.227 179.588 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' TYR . 19.7 t60 79.96 -38.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.359 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.887 ' O ' HG22 ' A' ' 89' ' ' VAL . 15.6 mm-40 -70.58 -19.66 62.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.083 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -70.54 -25.41 63.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.647 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.491 ' N ' HD13 ' A' ' 88' ' ' ILE . 6.1 mm -67.24 -25.04 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.655 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.887 HG22 ' O ' ' A' ' 86' ' ' GLN . 2.6 m -68.32 -24.09 29.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.42 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -78.65 -27.4 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.328 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' A' ' 92' ' ' TRP . 1.5 p-10 -60.37 -22.97 63.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.666 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 5.0 t-105 -62.33 -35.49 79.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.502 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -23.68 62.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.53 -44.06 65.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.788 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -75.6 -25.2 56.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.073 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.676 ' CZ ' ' OE1' ' A' ' 99' ' ' GLN . 22.1 t80 -78.13 -24.23 47.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.995 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -58.93 -32.25 69.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -56.63 -32.66 65.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.032 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.676 ' OE1' ' CZ ' ' A' ' 96' ' ' TYR . 41.8 tt0 -59.21 -48.8 80.28 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.77 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.445 HG12 ' H ' ' A' ' 100' ' ' ILE . 6.7 pt -75.8 -39.31 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.537 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -55.78 -32.77 63.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.071 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.22 -39.6 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -48.46 63.73 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.461 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.13 -36.47 84.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -58.04 -37.88 75.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.668 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -41.53 80.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.433 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -67.92 -37.46 81.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.431 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.33 73.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.3 m -57.88 -46.47 84.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.97 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -35.8 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 110.58 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -72.75 -27.64 62.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.08 -25.23 61.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -74.32 -48.61 27.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.833 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -24.95 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -74.63 -20.1 79.65 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -77.71 -19.91 54.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.491 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -106.11 64.48 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.527 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 119' ' ' PHE . . . -78.38 37.06 1.79 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 118' ' ' GLY . 0.0 OUTLIER -142.88 84.95 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.52 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -165.05 -171.97 2.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.446 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 33.2 mtp -107.78 157.56 18.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.325 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.55 143.67 68.43 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 C--N 1.309 -1.547 0 C-N-CA 122.613 2.209 . . . . 0.0 112.102 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.467 ' O ' ' OG ' ' A' ' 2' ' ' SER . 0.3 OUTLIER -105.09 81.19 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.577 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 t -63.01 -18.94 63.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mp -58.05 -35.27 71.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.9 p -57.49 -38.63 74.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.129 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -71.65 -32.7 68.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.982 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.34 -41.75 98.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.292 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.1 m -55.39 -40.47 71.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.273 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -73.14 -37.48 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.253 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 m -64.03 -47.58 79.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.42 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 tt -55.85 -38.93 70.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 3.4 tp10 -59.53 -36.44 76.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.425 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.97 -37.15 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.569 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.47 -47.62 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.231 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 17.2 t80 -63.05 -33.42 75.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.942 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.609 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.1 mmp_? -64.13 -43.59 94.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.191 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 21' ' ' THR . 26.1 ttt180 -76.49 -34.18 58.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.304 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.65 ' O ' ' N ' ' A' ' 22' ' ' TYR . 1.1 tt -60.8 -33.63 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -72.01 -52.67 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.184 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.13 -37.46 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 85.6 m -74.81 -38.26 62.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.003 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.65 ' N ' ' O ' ' A' ' 18' ' ' ILE . 21.1 t80 -60.36 -52.9 63.27 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.961 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.2 ttt -63.17 -26.83 68.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.571 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.29 -40.64 62.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.732 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.53 ' OD1' ' O ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -64.18 -40.82 96.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.665 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.487 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 7.6 t-105 -56.8 -47.43 80.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.734 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' OG1' ' A' ' 31' ' ' THR . 79.5 mt-30 -81.59 -21.05 38.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.744 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -55.95 -43.26 77.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.804 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -50.6 72.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.758 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 28' ' ' GLN . 59.9 p -54.71 -37.03 65.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.544 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -57.46 -33.51 68.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.482 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -70.39 -46.42 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.23 -43.63 73.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.63 -37.22 79.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 32' ' ' ALA . . . -53.17 -42.11 65.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 41' ' ' VAL . 22.9 mt -69.59 -48.35 60.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.308 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -60.85 -38.45 85.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.0 -34.46 77.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.507 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' A' ' 42' ' ' ASP . 24.7 mttm -81.66 -44.99 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.464 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 37' ' ' LEU . 86.1 t -47.5 -15.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.436 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 40' ' ' LYS . 7.0 t0 64.36 62.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.754 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.55 -10.79 60.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.287 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' C ' ' A' ' 45' ' ' ASN . 3.3 tt0 -57.67 -49.71 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.469 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.546 ' C ' ' O ' ' A' ' 44' ' ' GLU . 10.7 t-20 26.7 92.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.638 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 3.0 p90 -71.78 -26.69 62.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -30.94 69.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 22.2 t80 -65.67 -37.7 87.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.44 -41.89 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.4 mt -72.31 -33.8 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.298 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.0 -37.17 78.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.651 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -74.41 -43.52 55.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.6 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.25 -40.66 77.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.647 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.6 ttp -51.58 -43.88 62.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.74 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.0 m -78.56 -35.59 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -34.82 78.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.52 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.65 -42.18 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.438 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.61 -40.08 69.09 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 ttt -68.98 -43.91 73.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.325 . . . . 0.0 110.445 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -60.74 -42.5 97.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.382 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 m -58.05 -33.17 68.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.309 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.42 -44.53 96.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.533 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 63' ' ' ILE . 1.7 mp -57.08 -42.73 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.6 mt -57.97 -37.2 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.476 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.5 t -71.32 -31.55 44.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.213 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.26 66.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.473 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 68' ' ' LEU . 6.6 tt -64.41 -39.93 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.165 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.915 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.6 mt -66.45 -46.6 75.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.778 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.32 -38.9 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.484 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.2 p -70.07 -47.83 60.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.939 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.5 m -62.88 -31.06 72.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.608 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 68' ' ' LEU . 71.6 t -74.69 -49.65 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.247 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -29.35 69.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.9 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 1.1 m -66.9 -40.57 87.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -70.65 -28.66 64.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.27 -29.98 70.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.796 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.47 87.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.615 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.469 ' HG3' ' H ' ' A' ' 80' ' ' SER . 3.8 tp10 -176.03 92.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.76 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.3 11.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.398 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.494 ' OG ' ' N ' ' A' ' 81' ' ' ASN . 29.3 t -130.82 -120.6 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.555 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.494 ' N ' ' OG ' ' A' ' 80' ' ' SER . 1.7 p30 -149.03 -86.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.62 148.97 57.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.592 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -68.52 154.21 72.16 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.654 2.236 . . . . 0.0 111.88 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -96.64 138.56 34.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.937 -179.658 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 84' ' ' TYR . 12.2 m80 -143.07 167.97 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.595 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -19.21 61.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.004 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -89.99 -40.69 12.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.077 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 85.2 mt -58.61 -40.24 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.757 0.313 . . . . 0.0 110.542 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 90' ' ' GLU . 6.6 p -69.66 -43.92 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.499 ' N ' HG13 ' A' ' 89' ' ' VAL . 19.8 mt-10 -60.12 -35.03 74.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.381 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -24.47 59.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.489 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.476 ' CZ3' ' HG3' ' A' ' 93' ' ' GLN . 4.1 t90 -76.68 -43.3 38.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.476 ' HG3' ' CZ3' ' A' ' 92' ' ' TRP . 2.1 mt-30 -51.79 -24.27 5.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.321 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.89 -46.3 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.32 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -75.39 -24.36 57.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -58.95 -47.26 85.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.45 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -55.23 -32.81 62.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.991 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 t -74.12 -39.74 63.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.28 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -47.87 84.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.404 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.65 -36.39 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.929 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.46 -38.74 72.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.797 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -73.13 -39.41 65.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.643 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.69 -37.55 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.02 -37.95 81.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.219 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -72.68 -32.97 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.189 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.6 t -51.78 -46.63 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.314 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -54.51 -35.81 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.273 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 107' ' ' LYS . . . -72.13 -33.61 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 111.062 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.4 m -60.73 -46.6 89.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.28 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.17 -42.85 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.145 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.42 ' N ' ' ND1' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -64.42 -28.26 69.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.13 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.54 -21.83 55.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.939 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.527 HD22 ' C ' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -53.79 -43.5 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.81 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 115' ' ' GLY . 2.1 pp -82.79 -35.84 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.671 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.405 ' N ' HG13 ' A' ' 114' ' ' ILE . . . -62.17 -22.38 62.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 117' ' ' ALA . . . -66.74 -53.34 34.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.58 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 116' ' ' ALA . . . 66.39 98.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.732 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 98.09 93.02 1.96 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 2.1 p90 -152.49 88.8 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.318 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.76 70.89 1.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.64 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.5 ptm -152.12 142.58 22.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.17 149.62 91.93 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 C--N 1.305 -1.72 0 C-N-CA 122.74 2.293 . . . . 0.0 112.061 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.446 ' O ' ' OG ' ' A' ' 2' ' ' SER . 39.0 p -108.75 79.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.457 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -55.61 -22.96 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.65 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 mt -53.37 -36.24 61.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.595 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.66 -46.86 20.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.542 HD22 ' N ' ' A' ' 6' ' ' ASN . 1.1 m-80 -59.96 -31.76 70.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -55.54 -25.39 37.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.667 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.5 m -52.09 -34.06 42.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.163 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -59.67 -32.48 70.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.074 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.3 m -75.73 -32.82 60.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.474 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 11' ' ' LEU . 3.9 mm? -56.54 -43.14 79.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.951 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.65 -37.03 57.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.382 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.89 -37.84 82.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.33 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.55 -47.12 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.725 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -58.44 -33.17 69.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.507 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -47.86 64.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.238 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.544 ' O ' ' OG1' ' A' ' 21' ' ' THR . 10.9 mtp180 -71.8 -34.25 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.364 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.652 ' O ' ' N ' ' A' ' 22' ' ' TYR . 1.6 mm -58.84 -33.63 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -72.01 -52.63 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.062 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.6 mm -65.37 -36.87 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.544 ' OG1' ' O ' ' A' ' 17' ' ' ARG . 27.5 m -74.63 -38.07 62.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.871 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 18' ' ' ILE . 28.7 t80 -62.95 -52.82 61.54 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.879 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.497 ' O ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -61.46 -26.98 68.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.788 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -41.15 61.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.227 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 29' ' ' ASN . 1.4 m-80 -61.82 -35.4 78.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.199 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -53.79 -40.16 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.092 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' O ' HG22 ' A' ' 30' ' ' THR . 13.9 ttp-105 -72.86 -36.21 67.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.396 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' O ' ' OG1' ' A' ' 31' ' ' THR . 3.7 tt0 -80.59 -19.76 44.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.345 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 25' ' ' ASN . 3.3 t30 -55.33 -16.94 3.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.62 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 27' ' ' ARG . 1.5 t -56.16 -39.06 71.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -65.37 -37.39 86.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.21 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.44 -33.75 73.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.196 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.44 -38.37 89.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -40.27 68.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -64.49 -44.69 90.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.101 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.65 76.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.377 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tp -60.05 -44.07 94.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.468 ' O ' HG12 ' A' ' 41' ' ' VAL . 35.4 mt-30 -60.96 -32.81 72.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.655 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.58 -21.72 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.378 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 42' ' ' ASP . 4.7 ttpt -66.89 -11.84 57.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.662 HG13 ' O ' ' A' ' 41' ' ' VAL . 3.5 p -74.52 34.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 40' ' ' LYS . 23.6 t0 -92.34 100.03 12.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.495 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.61 -9.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.753 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.507 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 3.6 mm-40 -61.77 -34.14 75.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -84.79 37.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.316 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -53.02 -32.36 46.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.961 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.507 ' CZ ' ' O ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -64.81 -30.14 71.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.943 -179.63 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -73.35 -26.92 61.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.84 -47.63 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.5 pt -64.77 -33.15 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.6 tp -64.92 -45.87 84.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.925 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -40.54 90.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.584 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 tp -63.11 -36.2 82.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.9 ttm -61.91 -40.73 96.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 51' ' ' LEU . 18.8 t -58.53 -41.72 82.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.3 ttt -56.13 -53.65 54.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.354 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mm -58.02 -37.96 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.34 -45.48 95.87 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.1 mmt -56.27 -38.95 71.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.28 -42.38 91.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.524 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -38.14 88.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.434 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -38.28 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.561 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.19 -47.16 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.71 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 mt -61.0 -45.79 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.93 -35.67 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.531 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.18 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 71' ' ' THR . 50.6 mm -75.06 -35.05 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 72' ' ' VAL . 72.3 mt -70.51 -46.58 63.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.012 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 70' ' ' SER . 27.2 m -57.75 -38.77 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 69' ' ' VAL . 24.5 p -70.77 -48.07 56.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.904 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 67' ' ' ILE . 24.7 p -56.74 -31.13 64.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.423 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 68' ' ' LEU . 53.9 t -74.85 -46.97 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.144 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -69.31 -29.39 67.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.868 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 p -54.74 -27.01 37.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.558 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -73.0 -7.03 49.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -61.09 -20.11 62.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -82.96 -13.89 55.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -112.18 144.09 42.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.703 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.17 170.56 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.557 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.36 176.56 7.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.651 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -145.45 -49.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.436 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.23 143.71 28.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.389 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.51 147.76 94.66 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.559 2.173 . . . . 0.0 111.956 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.686 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 2.4 m-85 -95.74 125.54 40.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.635 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.686 ' CG ' ' O ' ' A' ' 84' ' ' TYR . 7.3 m-70 -176.08 -96.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -19.57 61.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.609 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -78.63 6.05 9.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 mm -52.71 -35.71 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.477 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.569 HG22 HE21 ' A' ' 93' ' ' GLN . 1.3 p -71.27 -23.31 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.328 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.45 -42.3 91.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.268 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -39.27 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -65.36 -41.33 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.089 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.569 HE21 HG22 ' A' ' 89' ' ' VAL . 3.4 mt-30 -72.06 -28.09 63.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.432 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -46.54 36.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.777 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -64.92 -24.42 67.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.505 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.19 -39.34 63.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.131 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -40.82 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.291 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -32.7 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.494 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.434 ' O ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -59.84 -47.39 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.547 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -72.53 -41.21 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.406 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.4 tp -57.57 -34.45 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -69.61 -34.38 74.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 99' ' ' GLN . 5.0 mp -61.76 -47.06 86.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.687 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -52.12 -36.73 52.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.61 -43.09 97.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -38.24 85.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.601 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -58.77 -39.19 80.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.55 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.75 71.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.46 ' O ' ' OD1' ' A' ' 113' ' ' ASN . 30.5 p -61.74 -44.5 96.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.466 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 mt -62.21 -34.27 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -65.83 -27.52 68.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.79 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -77.5 -47.98 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.589 ' OD1' ' N ' ' A' ' 113' ' ' ASN . 0.4 OUTLIER -58.71 -45.0 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.863 -179.677 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.66 -33.22 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.67 -19.69 36.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.12 -14.35 54.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.757 0.313 . . . . 0.0 110.699 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -103.91 14.93 29.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 174.72 102.53 0.16 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 119' ' ' PHE . 0.7 OUTLIER -153.41 89.77 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 110.586 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.37 -65.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.564 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.45 136.93 42.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.583 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.55 150.31 81.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.586 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--N 1.306 -1.69 0 C-N-CA 123.102 2.535 . . . . 0.0 112.165 -179.821 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.566 ' O ' ' OD1' ' A' ' 6' ' ' ASN . 44.6 p -127.13 84.65 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -24.89 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.436 ' HG ' ' H ' ' A' ' 5' ' ' SER . 1.7 pp -72.0 -41.06 68.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.749 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.436 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 4.2 m -74.84 -40.25 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 2' ' ' SER . 7.2 m120 -61.07 -32.81 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -69.91 -46.32 65.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 p -65.78 -39.89 91.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.575 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -55.26 -29.79 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 m -61.65 -48.16 82.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.453 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.52 -37.68 76.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.711 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.617 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 2.3 mp0 -71.3 -35.71 71.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.553 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.43 -37.65 62.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.638 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -72.08 -45.83 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.8 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.75 -33.22 75.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.223 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -71.75 -41.08 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.979 179.573 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -35.6 81.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.104 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.564 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 48.0 mt -75.09 -32.64 27.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.526 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -72.05 -52.24 17.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.452 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.509 ' CG2' ' N ' ' A' ' 21' ' ' THR . 15.2 tt -61.88 -40.47 87.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.509 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 55.0 m -72.79 -38.12 67.36 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.574 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.564 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 24.2 t80 -64.13 -43.7 94.46 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.4 mtt -71.76 -27.14 62.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.688 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.26 -43.46 91.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -59.68 -34.93 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.756 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -63.87 -33.51 75.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' O ' ' OG1' ' A' ' 30' ' ' THR . 12.1 mtp180 -69.07 -28.25 66.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.479 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -58.9 -16.91 19.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.404 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -66.4 -44.47 82.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.054 -179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -56.23 -43.99 79.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 -179.552 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.7 p -71.06 -34.65 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.873 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.18 -34.02 59.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.014 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -72.02 -48.03 47.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.806 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.07 -43.15 91.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.783 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.85 -39.66 66.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.031 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -61.4 -34.99 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.31 -42.36 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.919 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.586 ' O ' ' O ' ' A' ' 41' ' ' VAL . 93.7 mt-30 -71.24 -23.23 61.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -55.23 -21.41 13.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.15 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -99.97 -32.52 10.93 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.333 -179.45 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.814 HG22 ' H ' ' A' ' 42' ' ' ASP . 0.8 OUTLIER -126.89 -166.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.862 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.814 ' H ' HG22 ' A' ' 41' ' ' VAL . 28.4 t70 23.42 51.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.614 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -74.62 -26.9 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.781 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.639 ' C ' HD22 ' A' ' 45' ' ' ASN . 2.7 mt-10 -65.5 -45.17 84.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.605 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.809 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER 66.18 -37.07 0.26 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.781 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.568 ' H ' ' C ' ' A' ' 44' ' ' GLU . 1.3 m-85 -60.8 -47.12 87.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.568 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -65.37 -29.41 70.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.654 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.58 -42.23 98.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.782 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.34 -39.97 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.757 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.52 -34.39 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.715 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 tp -68.8 -43.67 75.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.405 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.414 ' CD2' ' SD ' ' A' ' 56' ' ' MET . 5.4 t80 -61.25 -41.14 96.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.395 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.5 ' O ' HG22 ' A' ' 57' ' ' ILE . 30.4 mt -72.0 -37.38 69.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.466 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -44.48 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.686 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 56' ' ' MET . 57.8 t -65.2 -73.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.714 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' VAL . 57.7 mtp -36.76 -66.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -53.58 -39.03 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.797 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.468 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . -65.72 -43.04 94.91 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 ttt -66.93 -44.24 81.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 110.844 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -46.3 63.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.698 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 t -55.07 -32.92 62.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -35.8 74.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.33 -49.82 82.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' A' ' 64' ' ' ILE . 1.3 mp -62.7 -38.18 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.543 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.72 -46.79 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.77 -47.95 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.8 mt -56.0 -35.21 40.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.613 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -63.12 -42.23 99.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.6 -179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.8 t -56.07 -44.73 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -48.24 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.0 m -59.83 -31.02 69.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.422 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 68' ' ' LEU . 24.5 t -74.5 -45.89 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.828 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -69.23 -29.84 67.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.768 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.85 -46.04 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.189 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -68.85 -39.12 80.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.333 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -70.21 -26.47 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.43 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 48.11 50.65 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.503 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -125.61 71.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -59.16 175.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.301 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.589 ' OG ' ' N ' ' A' ' 81' ' ' ASN . 11.7 t 175.47 -119.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.634 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.589 ' N ' ' OG ' ' A' ' 80' ' ' SER . 2.6 m120 -69.85 56.99 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.616 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.01 138.12 30.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.39 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -71.17 132.53 21.25 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.52 2.147 . . . . 0.0 112.064 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -91.24 112.17 23.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.621 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -161.24 66.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -54.01 -20.35 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.615 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -7.16 54.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.1 tt -57.45 -30.5 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.44 -30.47 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -74.12 -31.93 62.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.715 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -63.54 -35.92 82.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.693 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 96' ' ' TYR . 0.8 OUTLIER -62.66 -37.06 84.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -57.61 -32.09 66.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.271 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -75.43 -46.29 33.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.232 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -75.07 -24.63 58.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' TRP . 46.9 t80 -63.89 -21.43 66.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -73.03 -41.62 64.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.39 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -70.12 -39.43 75.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.449 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -58.0 -44.25 87.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.43 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.0 mm -64.18 -33.89 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.219 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -37.52 87.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.445 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -65.83 -43.53 88.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.364 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 103' ' ' LEU . 2.1 mm? -64.01 -35.17 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.409 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -50.82 -35.33 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.659 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -64.78 -40.84 95.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.455 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.41 ' O ' ' OG1' ' A' ' 109' ' ' THR . 1.3 t -58.33 -37.45 75.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.39 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -63.75 -36.8 85.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.253 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.49 -38.5 71.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 106' ' ' SER . 40.1 p -63.27 -39.11 93.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 24.5 mt -59.24 -35.8 59.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.25 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -58.66 -27.57 64.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.349 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -27.9 67.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.55 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.94 -48.88 72.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.4 pp -84.3 -21.51 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.432 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -56.84 -21.88 38.79 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 117' ' ' ALA . . . -76.57 -52.77 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.356 . . . . 0.0 110.46 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 116' ' ' ALA . . . 70.13 103.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.582 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.24 98.82 2.42 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.57 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.5 OUTLIER -146.64 85.74 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.619 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 119' ' ' PHE . 16.4 tttp 35.02 29.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.651 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.569 ' N ' ' O ' ' A' ' 119' ' ' PHE . 13.4 ttt -86.81 126.72 34.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 m -79.39 145.58 64.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo . . . . . 0 C--N 1.308 -1.605 0 C-N-CA 122.641 2.227 . . . . 0.0 111.967 179.975 . . . . . . . . 0 0 . 1 stop_ save_